Geometry & MOs

Info

ID:	179537
PubChem CID:	76495277
Reduced:	N3O7C26H41 (1)
Stoich.:	A3B7C26D41 (1)
Weight, g/mol:	464.209993
ΔH_f, kcal/mol:	-271.31
Dipole, Da:	3.83
IP(EA), eV:	-9.35(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3,5-bis(phenylmethoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(CC(=O)N(CC=C)O)C(=O)NC(CC1=CC=CC=C1)C(=O)NCCOCOCCOC

DOS

IR

Vibrations