Geometry & MOs

Info

ID:	214176
PubChem CID:	81087247
Reduced:	O2N3C13H25 (1)
Stoich.:	A2B3C13D25 (1)
Weight, g/mol:	241.179027
ΔH_f, kcal/mol:	-114.56
Dipole, Da:	4.69
IP(EA), eV:	-9.35(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetyl-1,4-diazepan-1-yl)-4-amino-3-methylbutan-1-one

Drug info:

PubChemData

Smile

CCC(CC(=O)N1CCCN(CC1)C(=O)C)CN

DOS

IR

Vibrations