Geometry & MOs

Info

ID:	345361
PubChem CID:	127269661
Reduced:	ON2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	324.147393
ΔH_f, kcal/mol:	-49.2
Dipole, Da:	4.48
IP(EA), eV:	-8.05(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-chromen-6-yl)-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)C2=NC=C(C=C2)CNC(=O)NC3=CC4=C(C=C3)OCCC4

DOS

IR

Vibrations