Geometry & MOs

Info

ID:	37071
PubChem CID:	8016504
Reduced:	O4C15H16 (1)
Stoich.:	A4B15C16 (1)
Weight, g/mol:	413.171262
ΔH_f, kcal/mol:	-111.42
Dipole, Da:	7.25
IP(EA), eV:	-8.48(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[[(1R)-6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]propanoate

Drug info:

PubChemData

Smile

CC(=CCOC1=C(C=CC2=C1OC(=O)C=C2)OC)C

DOS

IR

Vibrations