Geometry & MOs

Info

ID:	446541
PubChem CID:	135275803
Reduced:	N4O4C25H34 (1)
Stoich.:	A4B4C25D34 (1)
Weight, g/mol:	524.278741
ΔH_f, kcal/mol:	-150.81
Dipole, Da:	2.73
IP(EA), eV:	-8.53(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,3S)-3-[2-(3,4-dimethylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(1-ethyl-4-methylbenzotriazol-5-yl)-2-methylpropanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(C=C2)C(CC(=O)OC)C3=CC(=C(C=C3)N(C)N)N

DOS

IR

Vibrations