Geometry & MOs

Info

ID:	241894
PubChem CID:	96024517
Reduced:	N3C18H19 (1)
Stoich.:	A3B18C19 (1)
Weight, g/mol:	291.173548
ΔH_f, kcal/mol:	63.84
Dipole, Da:	5.1
IP(EA), eV:	-8.4(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)C3=C4C=CC=CC4=NN3

DOS

IR

Vibrations