Geometry & MOs

Info

ID:	302409
PubChem CID:	124361628
Reduced:	N3O6C28H43 (1)
Stoich.:	A3B6C28D43 (1)
Weight, g/mol:	437.195071
ΔH_f, kcal/mol:	-307.67
Dipole, Da:	6.2
IP(EA), eV:	-9.45(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(10aR)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide

Drug info:

PubChemData

Smile

CC(C)C[C@H](C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)C2=CC=CC=C2

DOS

IR

Vibrations