Geometry & MOs

Info

ID:	241787
PubChem CID:	96024264
Reduced:	N3C14H17 (1)
Stoich.:	A3B14C17 (1)
Weight, g/mol:	227.142248
ΔH_f, kcal/mol:	33.56
Dipole, Da:	4.44
IP(EA), eV:	-8.96(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(1H-imidazol-5-yl)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)C3=CN=CN3

DOS

IR

Vibrations