Geometry & MOs

Info

ID:	241895
PubChem CID:	96024519
Reduced:	N3C19H21 (1)
Stoich.:	A3B19C21 (1)
Weight, g/mol:	291.173548
ΔH_f, kcal/mol:	66.36
Dipole, Da:	3.85
IP(EA), eV:	-8.53(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-6,7-dimethyl-1-(1-methylindazol-3-yl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2C3=NN(C4=CC=CC=C43)C)C=C1)C

DOS

IR

Vibrations