Geometry & MOs

Info

ID:	241940
PubChem CID:	96024720
Reduced:	NOC20H21 (1)
Stoich.:	ABC20D21 (1)
Weight, g/mol:	229.18305
ΔH_f, kcal/mol:	11.53
Dipole, Da:	6.26
IP(EA), eV:	-9.0(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(1S)-2,2-dimethylcyclopropyl]-7,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)/C=C/C3=CC=CC=C3C=O

DOS

IR

Vibrations