Geometry & MOs

Info

ID:	229507
PubChem CID:	87567871
Reduced:	MnNO4C10H11 (1)
Stoich.:	ABC4D10E11 (1)
Weight, g/mol:	483.215806
ΔH_f, kcal/mol:	-68.4
Dipole, Da:	6.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.952819
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-[4-[(E)-3-(2-aminoanilino)-3-oxoprop-1-enyl]phenyl]-N-cyclopropyl-2-(3,4-dimethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C/C(=C/1\C=CC(=O)C=C1O)/NCC(=O)O.[Mn]

DOS

IR

Vibrations