Geometry & MOs

Info

ID:	64753
PubChem CID:	29203950
Reduced:	N2O4C23H26 (1)
Stoich.:	A2B4C23D26 (1)
Weight, g/mol:	349.179027
ΔH_f, kcal/mol:	-95.69
Dipole, Da:	5.19
IP(EA), eV:	-8.75(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC(=C(C(=C3)OC)OC)OC

DOS

IR

Vibrations