Geometry & MOs

Info

ID:	242064
PubChem CID:	96025317
Reduced:	FNO2C18H18 (1)
Stoich.:	ABC2D18E18 (1)
Weight, g/mol:	252.162649
ΔH_f, kcal/mol:	-99.84
Dipole, Da:	3.34
IP(EA), eV:	-9.07(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-5,8-dimethyl-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2C3=C(C=CC(=C3)F)C(=O)O)C=C1)C

DOS

IR

Vibrations