Geometry & MOs

Info

ID:	392733
PubChem CID:	135017801
Reduced:	BrNO2C20H24 (1)
Stoich.:	ABC2D20E24 (1)
Weight, g/mol:	355.178358
ΔH_f, kcal/mol:	-54.51
Dipole, Da:	1.56
IP(EA), eV:	-8.94(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C(C)CN(CC1=CC=CC=C1)CC2=CC=CC=C2Br

DOS

IR

Vibrations