Geometry & MOs

Info

ID:	30430
PubChem CID:	841327
Reduced:	ON2Cl3H11C14 (1)
Stoich.:	AB2C3D11E14 (1)
Weight, g/mol:	336.158626
ΔH_f, kcal/mol:	-23.34
Dipole, Da:	3.99
IP(EA), eV:	-9.19(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-propan-2-ylphenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)NC(=O)NCC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations