Geometry & MOs

Info

ID:	46879
PubChem CID:	10528076
Reduced:	N3O6C24H37 (1)
Stoich.:	A3B6C24D37 (1)
Weight, g/mol:	463.214744
ΔH_f, kcal/mol:	-273.81
Dipole, Da:	3.17
IP(EA), eV:	-9.66(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-2-methyl-7-phenylmethoxy-4-(4-phenylmethoxyphenyl)-1H-isoquinoline

Drug info:

PubChemData

Smile

CCC(C(=O)C(=O)NCCCCCO)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations