Geometry & MOs

Info

ID:	364435
PubChem CID:	127315687
Reduced:	ClN2O2C12H17 (1)
Stoich.:	AB2C2D12E17 (1)
Weight, g/mol:	250.179361
ΔH_f, kcal/mol:	-53.48
Dipole, Da:	4.24
IP(EA), eV:	-8.81(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,7-dimethyl-1,4-diazepan-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=CC=C(O2)Cl)C

DOS

IR

Vibrations