Geometry & MOs

Info

ID:	29131
PubChem CID:	831787
Reduced:	OSN2H18C19 (1)
Stoich.:	ABC2D18E19 (1)
Weight, g/mol:	308.127326
ΔH_f, kcal/mol:	39.26
Dipole, Da:	3.92
IP(EA), eV:	-8.72(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methylphenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C=NNC(=O)C2=CSC3=CC=CC=C32)C

DOS

IR

Vibrations