Geometry & MOs

Info

ID:	64778
PubChem CID:	29203988
Reduced:	ON3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	363.194677
ΔH_f, kcal/mol:	3.04
Dipole, Da:	1.79
IP(EA), eV:	-9.31(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-butyl-3-(2-methoxyphenyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C1=CC=C(C=C1)N2C(=CC=N2)C

DOS

IR

Vibrations