Geometry & MOs

Info

ID:	158026
PubChem CID:	56459416
Reduced:	O2N6C21H22 (1)
Stoich.:	A2B6C21D22 (1)
Weight, g/mol:	322.098524
ΔH_f, kcal/mol:	51.33
Dipole, Da:	5.99
IP(EA), eV:	-8.2(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]benzonitrile

Drug info:

PubChemData

Smile

CN(CC1=CN(N=C1)C2=CC=CC=C2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC

DOS

IR

Vibrations