Geometry & MOs

Info

ID:	241866
PubChem CID:	96024420
Reduced:	FO2N3C15H16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	253.18305
ΔH_f, kcal/mol:	-115.23
Dipole, Da:	7.87
IP(EA), eV:	-9.48(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-7,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)C3=C(C(=O)NC(=O)N3)F

DOS

IR

Vibrations