Geometry & MOs

Info

ID:	444882
PubChem CID:	135263801
Reduced:	ON2H10C11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	470.206639
ΔH_f, kcal/mol:	38.0
Dipole, Da:	5.53
IP(EA), eV:	-8.66(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-ethyl-4-methylbenzotriazol-5-yl)-3-[2-(pyrimidine-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)NN=C2)N3CC4=C(C3=O)C=CC(=C4)C5CN(C5)C(=O)C=C

DOS

IR

Vibrations