Geometry & MOs

Info

ID:	241793
PubChem CID:	96024286
Reduced:	NO2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	245.177964
ΔH_f, kcal/mol:	-69.3
Dipole, Da:	6.61
IP(EA), eV:	-9.13(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-7,8-dimethyl-1-(oxan-4-yl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)/C=C/C(=O)O

DOS

IR

Vibrations