Geometry & MOs

Info

ID:	349347
PubChem CID:	127275134
Reduced:	O2N4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	374.187543
ΔH_f, kcal/mol:	-43.81
Dipole, Da:	4.82
IP(EA), eV:	-8.71(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-2-(2-methyl-1,4-oxazepan-4-yl)-N-(oxolan-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)CC(=O)NC2=CC(=NN2C3=CC=CC=C3)C(C)(C)C

DOS

IR

Vibrations