Geometry & MOs

Info

ID:	365284
PubChem CID:	127317639
Reduced:	ON4C12H18 (1)
Stoich.:	AB4C12D18 (1)
Weight, g/mol:	236.163711
ΔH_f, kcal/mol:	-11.64
Dipole, Da:	3.97
IP(EA), eV:	-8.86(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,3-dimethylpyrazol-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C3=CN=CN3

DOS

IR

Vibrations