Geometry & MOs

Info

ID:	136248
PubChem CID:	52007375
Reduced:	ON3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	-2.55
Dipole, Da:	2.63
IP(EA), eV:	-9.37(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-5-methyl-N-[(3-methylphenyl)methyl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=CC(=N1)C)C(=O)NCC2=CC=CC=C2C

DOS

IR

Vibrations