Geometry & MOs

Info

ID:	397598
PubChem CID:	135030448
Reduced:	O4N5C36H45 (1)
Stoich.:	A4B5C36D45 (1)
Weight, g/mol:	340.121178
ΔH_f, kcal/mol:	-112.83
Dipole, Da:	4.02
IP(EA), eV:	-9.16(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-hydroxyphenyl)-[4-(2-pyrazol-1-ylphenyl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OCC(=O)NC(CCC(CC2=CC=CC=C2)NC(=O)C(C(C)C)N3CC=NNC3=O)CC4=CC=CC=C4

DOS

IR

Vibrations