Geometry & MOs

Info

ID:

113164

PubChem CID:

50433251

Reduced:

FO4N5C33H38 (1)

Stoich.:

AB4C5D33E38 (1)

Weight, g/mol:

605.281361

ΔHf, kcal/mol:

-174.63

Dipole, Da:

7.92

IP(EA), eV:

 -8.71(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[(3,4-difluorophenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)NC4=CC(=CC=C4)F)C

DOS

IR

Vibrations