Geometry & MOs

Info

ID:	235967
PubChem CID:	92711239
Reduced:	N2O7C26H32 (1)
Stoich.:	A2B7C26D32 (1)
Weight, g/mol:	460.1765
ΔH_f, kcal/mol:	-271.1
Dipole, Da:	5.67
IP(EA), eV:	-8.42(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(1R)-2-[(3-chloro-2-methylphenyl)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=C(C=C3)C(=O)OCC)CC(=O)OC)OCC

DOS

IR

Vibrations