Geometry & MOs

Info

ID:	206808
PubChem CID:	80304085
Reduced:	N2O3C16H20 (1)
Stoich.:	A2B3C16D20 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-115.28
Dipole, Da:	3.53
IP(EA), eV:	-9.18(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethyl-4-hydroxybutyl)-3-phenyl-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CCC(CCO)CNC(=O)C1=CC2=CC=CC=C2C(=O)N1

DOS

IR

Vibrations