Geometry & MOs

Info

ID:	241892
PubChem CID:	96024514
Reduced:	NOC19H23 (1)
Stoich.:	ABC19D23 (1)
Weight, g/mol:	277.157898
ΔH_f, kcal/mol:	-15.24
Dipole, Da:	2.14
IP(EA), eV:	-8.66(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(2H-indazol-3-yl)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@H](NCC2)COCC3=CC=CC=C3

DOS

IR

Vibrations