Geometry & MOs

Info

ID:	25857
PubChem CID:	632029
Reduced:	O3C23H32 (1)
Stoich.:	A3B23C32 (1)
Weight, g/mol:	356.200097
ΔH_f, kcal/mol:	-130.19
Dipole, Da:	3.78
IP(EA), eV:	-8.13(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-4-[5-(6-methylpyridin-3-yl)-2-phenyl-3,4-dihydropyrazol-3-yl]aniline

Drug info:

PubChemData

Smile

CC(C)C1CCC23C1CCC(C2CC4=C(C=CC(=C4C3)OC)OC)C=O

DOS

IR

Vibrations