Geometry & MOs

Info

ID:	163899
PubChem CID:	74380663
Reduced:	NO11C33H51 (1)
Stoich.:	AB11C33D51 (1)
Weight, g/mol:	520.208611
ΔH_f, kcal/mol:	-482.51
Dipole, Da:	7.42
IP(EA), eV:	-9.88(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2-(6-cyclopropylpyridin-3-yl)propan-2-ylamino]-5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-2-yl]benzonitrile

Drug info:

PubChemData

Smile

CC1C(OC(CC1=C)(C(C(=O)NC2C3C(C(C(C(O3)CC(=O)CCCCCC=CC=CC(=O)O)(C)C)OC)OCO2)O)OC)C

DOS

IR

Vibrations