Geometry & MOs

Info

ID:	172549
PubChem CID:	75524302
Reduced:	ON3H19C22 (1)
Stoich.:	AB3C19D22 (1)
Weight, g/mol:	427.200825
ΔH_f, kcal/mol:	65.7
Dipole, Da:	4.58
IP(EA), eV:	-8.28(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylamino]-N,N-dimethylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C2=CC=CC=C2C=C1)CNC3=NC=C(C=C3)C4=CC=CC=N4

DOS

IR

Vibrations