Geometry & MOs

Info

ID:	207779
PubChem CID:	80448054
Reduced:	NOC12H25 (1)
Stoich.:	ABC12D25 (1)
Weight, g/mol:	212.152478
ΔH_f, kcal/mol:	-64.78
Dipole, Da:	3.29
IP(EA), eV:	-8.93(2.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methyl-2-oxopentyl)-1,4-diazepan-5-one

Drug info:

PubChemData

Smile

CCC(C)C(CN(CC)CC1CC1)O

DOS

IR

Vibrations