Geometry & MOs

Info

ID:

180181

PubChem CID:

76591408

Reduced:

NO2C22H33 (1)

Stoich.:

AB2C22D33 (1)

Weight, g/mol:

674.350444

ΔHf, kcal/mol:

-70.01

Dipole, Da:

3.35

IP(EA), eV:

 -8.88(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-(difluoromethyl)pyridin-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)C(C(C(C)C=CC=CC1=CC=CC=C1)O)N(C)C(C)C

DOS

IR

Vibrations