Geometry & MOs

Info

ID:	126554
PubChem CID:	50967665
Reduced:	ClN4C18H19 (1)
Stoich.:	AB4C18D19 (1)
Weight, g/mol:	321.15896
ΔH_f, kcal/mol:	59.26
Dipole, Da:	5.43
IP(EA), eV:	-8.79(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-pyrazol-1-yl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CCNC2=NC(=NC3=CC=CC=C32)CCN)Cl

DOS

IR

Vibrations