Geometry & MOs

Info

ID:	349302
PubChem CID:	127275089
Reduced:	N2O3C20H30 (1)
Stoich.:	A2B3C20D30 (1)
Weight, g/mol:	359.220892
ΔH_f, kcal/mol:	-127.18
Dipole, Da:	4.55
IP(EA), eV:	-9.16(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-1,4-oxazepan-4-yl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)CC(=O)NCC2(CCOCC2)C3=CC=CC=C3

DOS

IR

Vibrations