Geometry & MOs

Info

ID:	444937
PubChem CID:	135264019
Reduced:	O2N5C30H33 (1)
Stoich.:	A2B5C30D33 (1)
Weight, g/mol:	482.231791
ΔH_f, kcal/mol:	-6.07
Dipole, Da:	5.01
IP(EA), eV:	-9.11(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C2=C(C(=C(C=C2)C(CC(=O)N)C3=CC4=C(CCN(C4)C(=O)C5=CC(=C(C=C5)C)C)C=C3)C)N=N1

DOS

IR

Vibrations