Geometry & MOs

Info

ID:	397397
PubChem CID:	135030158
Reduced:	ClN2C18H19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	264.162649
ΔH_f, kcal/mol:	53.94
Dipole, Da:	5.24
IP(EA), eV:	-8.27(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4,5-dimethyl-2-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazole

Drug info:

PubChemData

Smile

CC(C)C1=NN(C(C1)C2=CC=CC=C2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations