Geometry & MOs

Info

ID:	217217
PubChem CID:	85087449
Reduced:	ClNO2C20H22 (1)
Stoich.:	ABC2D20E22 (1)
Weight, g/mol:	343.177503
ΔH_f, kcal/mol:	-70.99
Dipole, Da:	6.41
IP(EA), eV:	-9.4(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-[2-(2H-tetrazol-5-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylate;hydrochloride

Drug info:

PubChemData

Smile

CC1(CCCCC1)C2CC3=NC4=C(C=C(C=C4)Cl)C(=O)C3C(=O)C2

DOS

IR

Vibrations