Geometry & MOs

Info

ID:	364511
PubChem CID:	127315763
Reduced:	ON2F3C10H17 (1)
Stoich.:	AB2C3D10E17 (1)
Weight, g/mol:	236.163711
ΔH_f, kcal/mol:	-215.86
Dipole, Da:	7.7
IP(EA), eV:	-9.24(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,7-dimethyl-1,4-diazepan-1-yl)-(2-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)CC(F)(F)F)C

DOS

IR

Vibrations