Geometry & MOs

Info

ID:	73567
PubChem CID:	48418176
Reduced:	O2N3C21H29 (1)
Stoich.:	A2B3C21D29 (1)
Weight, g/mol:	379.189592
ΔH_f, kcal/mol:	-38.09
Dipole, Da:	5.37
IP(EA), eV:	-8.76(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-methoxyisoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(CNC(=O)CN(C)CC1=CC=CC=C1)C2=CC(=CC=C2)OC

DOS

IR

Vibrations