Geometry & MOs

Info

ID:	241997
PubChem CID:	96025001
Reduced:	N3C18H19 (1)
Stoich.:	A3B18C19 (1)
Weight, g/mol:	277.157898
ΔH_f, kcal/mol:	59.7
Dipole, Da:	3.47
IP(EA), eV:	-8.83(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2C3=CC4=C(C=C3)N=CN4)C=C1)C

DOS

IR

Vibrations