Geometry & MOs

Info

ID:	235964
PubChem CID:	92711226
Reduced:	N2O7C26H32 (1)
Stoich.:	A2B7C26D32 (1)
Weight, g/mol:	490.11033
ΔH_f, kcal/mol:	-275.89
Dipole, Da:	5.5
IP(EA), eV:	-8.46(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(1R)-2-[(2-bromophenyl)carbamoyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate

Drug info:

PubChemData

Smile

CCOC1=C(C=C2[C@H](N(CCC2=C1)C(=O)NC3=CC=CC=C3C(=O)OCC)CC(=O)OC)OCC

DOS

IR

Vibrations