Geometry & MOs

Info

ID:	356814
PubChem CID:	127292354
Reduced:	O2N3C19H29 (1)
Stoich.:	A2B3C19D29 (1)
Weight, g/mol:	324.147393
ΔH_f, kcal/mol:	-86.4
Dipole, Da:	3.04
IP(EA), eV:	-8.35(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-4-ylmethyl)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)OCCNC(=O)NC2CCN(C2)C3=CC=CC=C3

DOS

IR

Vibrations