Geometry & MOs

Info

ID:	368019
PubChem CID:	127326511
Reduced:	ON7C21H31 (1)
Stoich.:	AB7C21D31 (1)
Weight, g/mol:	312.169859
ΔH_f, kcal/mol:	32.66
Dipole, Da:	4.37
IP(EA), eV:	-8.64(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1-phenyltetrazol-5-yl)ethyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(=O)NC(C)C3=NN=NN3C4=CC=CC=C4

DOS

IR

Vibrations