Geometry & MOs

Info

ID:	41069
PubChem CID:	8145204
Reduced:	OSN5C23H29 (1)
Stoich.:	ABC5D23E29 (1)
Weight, g/mol:	418.168128
ΔH_f, kcal/mol:	51.82
Dipole, Da:	5.16
IP(EA), eV:	-8.03(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(1,3-benzodioxol-5-yl)-2-phenyl-5-(4-phenylphenyl)-3,4-dihydropyrazole

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CCN(CC2)CN3C(=S)N(C(=N3)C)C4=CC=C(C=C4)C

DOS

IR

Vibrations