Geometry & MOs

Info

ID:	199128
PubChem CID:	79202019
Reduced:	ON3C11H25 (1)
Stoich.:	AB3C11D25 (1)
Weight, g/mol:	241.179027
ΔH_f, kcal/mol:	-67.77
Dipole, Da:	3.9
IP(EA), eV:	-8.65(1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetyl-1,4-diazepan-1-yl)-2-methyl-3-(methylamino)propan-1-one

Drug info:

PubChemData

Smile

CC(CNC)C(=O)NCCCCN(C)C

DOS

IR

Vibrations