Geometry & MOs

Info

ID:	345275
PubChem CID:	127269433
Reduced:	O2N4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	307.225977
ΔH_f, kcal/mol:	-21.23
Dipole, Da:	7.38
IP(EA), eV:	-8.82(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetamido-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC1N2CCC(C2)CNC(=O)C3=CN=C4C=CC=CN4C3=O

DOS

IR

Vibrations