Geometry & MOs

Info

ID:	136250
PubChem CID:	52007391
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-40.02
Dipole, Da:	4.47
IP(EA), eV:	-8.96(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-N-[2-(3-methoxyphenyl)ethyl]-5-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=CC(=N1)C)C(=O)NCCC2=CC=CC=C2OC

DOS

IR

Vibrations