Geometry & MOs

Info

ID:	364508
PubChem CID:	127315760
Reduced:	ON2C18H30 (1)
Stoich.:	AB2C18D30 (1)
Weight, g/mol:	236.163711
ΔH_f, kcal/mol:	-69.91
Dipole, Da:	4.02
IP(EA), eV:	-8.5(1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,7-dimethyl-1,4-diazepan-1-yl)-(1-methylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C23CC4CC(C2)CC(C4)C3)C

DOS

IR

Vibrations