Geometry & MOs

Info

ID:	361235
PubChem CID:	127302399
Reduced:	N3O4C21H31 (1)
Stoich.:	A3B4C21D31 (1)
Weight, g/mol:	239.163377
ΔH_f, kcal/mol:	-168.83
Dipole, Da:	6.77
IP(EA), eV:	-8.88(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-(2-oxoazepan-3-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)[C@@H](C(=O)NC(C)C1=CC2=C(C=C1)OCCO2)NC(=O)N3CCCC3

DOS

IR

Vibrations