Geometry & MOs

Info

ID:	66461
PubChem CID:	46504618
Reduced:	O3N4C33H36 (1)
Stoich.:	A3B4C33D36 (1)
Weight, g/mol:	436.211055
ΔH_f, kcal/mol:	-46.14
Dipole, Da:	7.97
IP(EA), eV:	-8.5(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(diethylamino)benzoyl]amino]-N-(2-methoxyethyl)-1-oxoisoquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)C(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)N4CCC(CC4)CC5=CC=CC=C5

DOS

IR

Vibrations