Geometry & MOs

Info

ID:	129019
PubChem CID:	51066714
Reduced:	FO2N3H28C29 (1)
Stoich.:	AB2C3D28E29 (1)
Weight, g/mol:	483.232205
ΔH_f, kcal/mol:	5.95
Dipole, Da:	3.35
IP(EA), eV:	-9.13(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-N-[[3-ethyl-1-(4-fluorophenyl)-5-phenoxypyrazol-4-yl]methyl]-4-methylbenzamide

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1CN(CC2CC2)C(=O)C3=CC=CC=C3)OC4=CC=CC=C4)C5=CC=C(C=C5)F

DOS

IR

Vibrations