Geometry & MOs

Info

ID:	142945
PubChem CID:	53120631
Reduced:	N2O5C28H28 (1)
Stoich.:	A2B5C28D28 (1)
Weight, g/mol:	404.173607
ΔH_f, kcal/mol:	-147.17
Dipole, Da:	0.89
IP(EA), eV:	-8.9(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(furan-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3CC2(C)C(=O)NCC4=CC=C(C=C4)OC

DOS

IR

Vibrations