Geometry & MOs

Info

ID:	341550
PubChem CID:	127264243
Reduced:	ClN4C7H9 (1)
Stoich.:	AB4C7D9 (1)
Weight, g/mol:	195.100777
ΔH_f, kcal/mol:	15.91
Dipole, Da:	2.95
IP(EA), eV:	-8.3(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(dimethoxymethyl)pyrazol-1-yl]propanenitrile

Drug info:

PubChemData

Smile

C1=C(C=NC2=C1C(=CN2)N)N.Cl

DOS

IR

Vibrations