Geometry & MOs

Info

ID:	330518
PubChem CID:	127247925
Reduced:	O3N4C18H28 (1)
Stoich.:	A3B4C18D28 (1)
Weight, g/mol:	267.194677
ΔH_f, kcal/mol:	-83.5
Dipole, Da:	4.1
IP(EA), eV:	-8.86(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-4-(cyclobutylmethyl)-N-methyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1CN(CCN(C1)C(=O)C2=CC(=NO2)C3CCCCC3)C

DOS

IR

Vibrations