Geometry & MOs

Info

ID:	238740
PubChem CID:	92765329
Reduced:	N3O3C28H31 (1)
Stoich.:	A3B3C28D31 (1)
Weight, g/mol:	556.304956
ΔH_f, kcal/mol:	-33.11
Dipole, Da:	3.63
IP(EA), eV:	-8.65(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2,3-bis(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCOC2=CC=CC=C2)CC(=O)N3[C@H](COC4=CC=CC=C43)C5=CC=CC=C5

DOS

IR

Vibrations