Geometry & MOs

Info

ID:	242020
PubChem CID:	96025103
Reduced:	NO2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	289.136117
ΔH_f, kcal/mol:	-92.63
Dipole, Da:	3.89
IP(EA), eV:	-9.11(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-7,8-dimethyl-1-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2[C@@H](CO)O)C=C1)C

DOS

IR

Vibrations