Geometry & MOs

Info

ID:	241795
PubChem CID:	96024296
Reduced:	N5C13H17 (1)
Stoich.:	A5B13C17 (1)
Weight, g/mol:	243.148396
ΔH_f, kcal/mol:	84.64
Dipole, Da:	6.63
IP(EA), eV:	-9.22(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-7,8-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