Geometry & MOs

Info

ID:	345935
PubChem CID:	127270235
Reduced:	FO2N5C20H30 (1)
Stoich.:	AB2C5D20E30 (1)
Weight, g/mol:	387.207053
ΔH_f, kcal/mol:	-122.18
Dipole, Da:	2.41
IP(EA), eV:	-8.71(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanocyclohexyl)-2-[3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(=O)C(C)N2CCC(C2)NC(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations