Geometry & MOs

Info

ID:	241796
PubChem CID:	96024297
Reduced:	N5C13H17 (1)
Stoich.:	A5B13C17 (1)
Weight, g/mol:	243.148396
ΔH_f, kcal/mol:	85.05
Dipole, Da:	8.03
IP(EA), eV:	-9.14(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-6,7-dimethyl-1-(tetrazol-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2CN3C=NN=N3)C=C1)C

DOS

IR

Vibrations