Geometry & MOs

Info

ID:	241790
PubChem CID:	96024274
Reduced:	NC16H21 (1)
Stoich.:	AB16C21 (1)
Weight, g/mol:	227.142248
ΔH_f, kcal/mol:	9.19
Dipole, Da:	2.47
IP(EA), eV:	-8.77(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-7,8-dimethyl-1-(1H-pyrazol-5-yl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)C3CC=CC3

DOS

IR

Vibrations