Geometry & MOs

Info

ID:	273420
PubChem CID:	103771087
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-105.32
Dipole, Da:	2.19
IP(EA), eV:	-9.74(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-4-pyrazol-1-ylbenzamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C(C)OC1=CC=C(C=C1)C#N)O

DOS

IR

Vibrations