Geometry & MOs

Info

ID:	175704
PubChem CID:	75939488
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	349.179027
ΔH_f, kcal/mol:	-44.0
Dipole, Da:	6.57
IP(EA), eV:	-8.62(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)CON=C(C2=CC=CC=C2CN3CCCCC3)N

DOS

IR

Vibrations