Geometry & MOs

Info

ID:	444900
PubChem CID:	135263896
Reduced:	O3N5C27H33 (1)
Stoich.:	A3B5C27D33 (1)
Weight, g/mol:	482.231791
ΔH_f, kcal/mol:	-65.81
Dipole, Da:	8.81
IP(EA), eV:	-9.18(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(2-benzoyl-5-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(1-ethyl-4-methylbenzotriazol-5-yl)propanoic acid

Drug info:

PubChemData

Smile

CCN1C2=C(C(=C(C=C2)C(CC(=O)O)C3=CC4=C(CCN(C4)C(=O)N5CCCCC5)C=C3)C)N=N1

DOS

IR

Vibrations