Geometry & MOs

Info

ID:	348667
PubChem CID:	127273778
Reduced:	O3N7C17H27 (1)
Stoich.:	A3B7C17D27 (1)
Weight, g/mol:	359.220892
ΔH_f, kcal/mol:	-73.68
Dipole, Da:	5.43
IP(EA), eV:	-9.71(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[2-(azepan-1-yl)ethyl]-4-benzyl-5-oxomorpholine-3-carboxamide

Drug info:

PubChemData

Smile

CC(CC(=O)N1CCN(CC1)C(=O)CN2C=NN=N2)NC(=O)C3CCCC3

DOS

IR

Vibrations