Geometry & MOs

Info

ID:	334673
PubChem CID:	127253348
Reduced:	N3O3H25C28 (1)
Stoich.:	A3B3C25D28 (1)
Weight, g/mol:	454.174001
ΔH_f, kcal/mol:	-46.26
Dipole, Da:	2.61
IP(EA), eV:	-9.17(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3,4-dimethoxyphenyl)-N-[(4-methoxy-6-methyl-5-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)C(=O)CCCN3C4C5=CC=CC=C5C(=O)N4C6=CC=CC=C6C3=O

DOS

IR

Vibrations