Geometry & MOs

Info

ID:	241794
PubChem CID:	96024292
Reduced:	NOC16H23 (1)
Stoich.:	ABC16D23 (1)
Weight, g/mol:	243.148396
ΔH_f, kcal/mol:	-46.44
Dipole, Da:	1.18
IP(EA), eV:	-8.78(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-7,8-dimethyl-1-(tetrazol-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2C3CCOCC3)C=C1)C

DOS

IR

Vibrations