Geometry & MOs

Info

ID:	444919
PubChem CID:	135263931
Reduced:	ClN2H13C16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	478.258006
ΔH_f, kcal/mol:	61.9
Dipole, Da:	5.45
IP(EA), eV:	-8.58(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 7-[1-(1-ethyl-4-methylbenzotriazol-5-yl)-3-methoxy-3-oxopropyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=C(N1)C2=CC(=CC=C2)Cl)C3=CC=CC=C3

DOS

IR

Vibrations