Geometry & MOs

Info

ID:	128621
PubChem CID:	51052306
Reduced:	O3N5C21H29 (1)
Stoich.:	A3B5C21D29 (1)
Weight, g/mol:	508.220951
ΔH_f, kcal/mol:	-109.45
Dipole, Da:	4.15
IP(EA), eV:	-8.46(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-oxopyran-3-yl]oxy-N-[2-(2-methoxyphenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)NC(=O)C(=O)NC[C@@H]3CCCN4C3CCCC4)N(C1=O)C

DOS

IR

Vibrations