Geometry & MOs

Info

ID:	361236
PubChem CID:	127302400
Reduced:	O2N3C12H21 (1)
Stoich.:	A2B3C12D21 (1)
Weight, g/mol:	338.231791
ΔH_f, kcal/mol:	-92.2
Dipole, Da:	1.99
IP(EA), eV:	-9.14(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-3-methyl-1-oxo-1-[(2-oxoazepan-3-yl)amino]pentan-2-yl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCCC1C(=O)NC2CCCCNC2=O

DOS

IR

Vibrations