Geometry & MOs

Info

ID:	444912
PubChem CID:	135263920
Reduced:	N2O4C29H32 (1)
Stoich.:	A2B4C29D32 (1)
Weight, g/mol:	498.251858
ΔH_f, kcal/mol:	-129.14
Dipole, Da:	4.64
IP(EA), eV:	-9.14(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-carbamoyl-2-methylphenyl)-3-[2-(2,3,5,6-tetramethylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCC3=C(C2)C=C(C=C3)C(CC(=O)OC)C4=CN=C(C=C4C)OC)C

DOS

IR

Vibrations