Geometry & MOs

Info

ID:	121541
PubChem CID:	50772808
Reduced:	ON3H17C18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	305.152812
ΔH_f, kcal/mol:	47.97
Dipole, Da:	5.85
IP(EA), eV:	-9.35(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethylphenyl)methyl]-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCNC(=O)C2=CN(N=C2)C3=CC=CC=C3

DOS

IR

Vibrations