Geometry & MOs

Info

ID:	235970
PubChem CID:	92711247
Reduced:	N2O5C25H32 (1)
Stoich.:	A2B5C25D32 (1)
Weight, g/mol:	426.215472
ΔH_f, kcal/mol:	-196.29
Dipole, Da:	2.82
IP(EA), eV:	-8.36(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(1S)-2-(benzylcarbamoyl)-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=C(C=C(C=C3)C)C)CC(=O)OC)OCC

DOS

IR

Vibrations