Geometry & MOs

Info

ID:	82565
PubChem CID:	49856185
Reduced:	N2O7C23H24 (1)
Stoich.:	A2B7C23D24 (1)
Weight, g/mol:	454.174001
ΔH_f, kcal/mol:	-217.85
Dipole, Da:	2.84
IP(EA), eV:	-8.89(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6,7-dimethoxy-3-[2-(methoxycarbonylamino)phenyl]-1-oxo-2-prop-2-enyl-3,4-dihydroisoquinoline-4-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)[C@H]([C@H](N(C2=O)CC=C)C3=CC=CC=C3NC(=O)OC)C(=O)O)OC

DOS

IR

Vibrations