Geometry & MOs

Info

ID:	308389
PubChem CID:	125326859
Reduced:	N3O3C27H29 (1)
Stoich.:	A3B3C27D29 (1)
Weight, g/mol:	292.121178
ΔH_f, kcal/mol:	-35.55
Dipole, Da:	4.46
IP(EA), eV:	-8.7(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(2-hydroxy-5-methylphenyl)-3H-pyrazol-4-yl]-(3-methylphenyl)methanone

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)[C@@H]2[C@H]3C(=C4C=CC=CC4=N3)C[C@H]5N2C(=O)CN(C5=O)C6CCCCC6

DOS

IR

Vibrations