Geometry & MOs

Info

ID:	364512
PubChem CID:	127315764
Reduced:	ON4C12H20 (1)
Stoich.:	AB4C12D20 (1)
Weight, g/mol:	253.179027
ΔH_f, kcal/mol:	-4.07
Dipole, Da:	5.75
IP(EA), eV:	-9.11(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,7-dimethyl-1,4-diazepane-1-carbonyl)-N-methylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=CC=NN2C)C

DOS

IR

Vibrations