Geometry & MOs

Info

ID:	444941
PubChem CID:	135264025
Reduced:	NO2C15H17 (2)
Stoich.:	AB2C15D17 (2)
Weight, g/mol:	473.206304
ΔH_f, kcal/mol:	-143.24
Dipole, Da:	5.34
IP(EA), eV:	-8.96(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(1-ethyl-4-methylbenzotriazol-5-yl)-3-[2-(1,2-oxazole-3-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C)C(=O)N2CCC3=C(C2)C=C(C=C3)[C@H](CC(=O)O)C4=CN=C(C=C4C)OC)C)C

DOS

IR

Vibrations