Geometry & MOs

Info

ID:	414839
PubChem CID:	135087811
Reduced:	ClON4C18H19 (1)
Stoich.:	ABC4D18E19 (1)
Weight, g/mol:	340.201159
ΔH_f, kcal/mol:	17.47
Dipole, Da:	6.17
IP(EA), eV:	-8.99(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-1-[(1S,5S,6R,7R)-3-(1-phenyltetrazol-5-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanamine

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CN=CC(=N2)N3CCC4=C(C3)C=CC=C4Cl

DOS

IR

Vibrations