Geometry & MOs

Info

ID:	138760
PubChem CID:	52422110
Reduced:	ON5C23H25 (1)
Stoich.:	AB5C23D25 (1)
Weight, g/mol:	399.136511
ΔH_f, kcal/mol:	68.04
Dipole, Da:	3.01
IP(EA), eV:	-8.18(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonyl-3,4-dihydro-1H-isoquinoline

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=N2)NCC4=CC=CO4

DOS

IR

Vibrations