Geometry & MOs

Info

ID:	403851
PubChem CID:	135062202
Reduced:	N4O4C31H37 (1)
Stoich.:	A4B4C31D37 (1)
Weight, g/mol:	424.251464
ΔH_f, kcal/mol:	-25.73
Dipole, Da:	9.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.806996
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-2-benzyl-4-butyl-3-(2-phenylethyl)-3H-pyrazol-1-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CC(C)C(C(C)C)O/C(=C(/C(C1=CC=C(C=C1)OC)N(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)\[N+]#N)/O

DOS

IR

Vibrations