Geometry & MOs

Info

ID:	346184
PubChem CID:	127270675
Reduced:	N3O4C21H33 (1)
Stoich.:	A3B4C21D33 (1)
Weight, g/mol:	311.184506
ΔH_f, kcal/mol:	-204.36
Dipole, Da:	4.12
IP(EA), eV:	-9.4(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-2-(2-oxoazepan-1-yl)acetamide

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCOCC1)C(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations