Geometry & MOs

Info

ID:	336105
PubChem CID:	127255112
Reduced:	Cl2N3O4C35H45 (1)
Stoich.:	A2B3C4D35E45 (1)
Weight, g/mol:	299.17461
ΔH_f, kcal/mol:	-159.5
Dipole, Da:	1.87
IP(EA), eV:	-8.42(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-2-(tetrazol-1-yl)pentan-1-one

Drug info:

PubChemData

Smile

CCC(=C(C1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC)C3=CN(C4=CC=CC=C43)CC(CN5CCN(CC5)CCO)O.Cl.Cl

DOS

IR

Vibrations