Geometry & MOs

Info

ID:	366567
PubChem CID:	127320096
Reduced:	O2N4C19H32 (1)
Stoich.:	A2B4C19D32 (1)
Weight, g/mol:	398.268176
ΔH_f, kcal/mol:	-59.72
Dipole, Da:	2.27
IP(EA), eV:	-8.83(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(cyclohexylmethyl)-1,4-diazepane-1-carbonyl]-1-methyl-5-pyridin-3-ylpyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2(CCCCCC2)NC(=O)C(C)N3CCCCCC3

DOS

IR

Vibrations