Geometry & MOs

Info

ID:	444957
PubChem CID:	135264048
Reduced:	N4O4C25H30 (1)
Stoich.:	A4B4C25D30 (1)
Weight, g/mol:	485.220223
ΔH_f, kcal/mol:	-113.54
Dipole, Da:	4.76
IP(EA), eV:	-9.17(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[2-(3,4-dimethylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(C=C2)C(CC(=O)OC)C3=CC4=C(C=C3)N(N=N4)C

DOS

IR

Vibrations