Geometry & MOs

Info

ID:	444954
PubChem CID:	135264044
Reduced:	O3N4C30H32 (1)
Stoich.:	A3B4C30D32 (1)
Weight, g/mol:	510.263091
ΔH_f, kcal/mol:	-42.73
Dipole, Da:	10.19
IP(EA), eV:	-8.94(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C2=C(C(=C(C=C2)[C@@H](CC(=O)O)C3=CC4=C(CCN(C4)C(=O)C5=C(C=CC(=C5)C)C)C=C3)C)N=N1

DOS

IR

Vibrations