Geometry & MOs

Info

ID:	273494
PubChem CID:	103771220
Reduced:	NO2C16H25 (1)
Stoich.:	AB2C16D25 (1)
Weight, g/mol:	253.179027
ΔH_f, kcal/mol:	-114.94
Dipole, Da:	2.72
IP(EA), eV:	-9.12(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-1,3,5-trimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CCC(=O)NCC(CC(C)C)O

DOS

IR

Vibrations