Geometry & MOs

Info

ID:	241893
PubChem CID:	96024515
Reduced:	N3C18H19 (1)
Stoich.:	A3B18C19 (1)
Weight, g/mol:	277.157898
ΔH_f, kcal/mol:	66.97
Dipole, Da:	1.58
IP(EA), eV:	-8.65(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2C3=C4C=CC=CC4=NN3)C=C1)C

DOS

IR

Vibrations