Geometry & MOs

Info

ID:	189167
PubChem CID:	77823993
Reduced:	O3N4C31H42 (1)
Stoich.:	A3B4C31D42 (1)
Weight, g/mol:	416.148239
ΔH_f, kcal/mol:	-107.44
Dipole, Da:	3.48
IP(EA), eV:	-9.12(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2,2-difluoro-2-pyridin-2-yl-1-thiophen-3-ylethyl)amino]-2,2-dimethyl-5-oxopyrrolidin-1-yl]cyclopropane-1-carbonitrile

Drug info:

PubChemData

Smile

CCC(CC)C1C(=O)NC(CN1CC2=C(C=C(C=C2)C(=O)N(C)C)C(=O)N(C)C)C3CC4=CC=CC=C4C3

DOS

IR

Vibrations