Geometry & MOs

Info

ID:	73664
PubChem CID:	48419661
Reduced:	ClN2O3C16H25 (1)
Stoich.:	AB2C3D16E25 (1)
Weight, g/mol:	336.147393
ΔH_f, kcal/mol:	-114.27
Dipole, Da:	4.85
IP(EA), eV:	-9.86(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1OCCNC(=O)CCC2=C(ON=C2C)Cl

DOS

IR

Vibrations