Geometry & MOs

Info

ID:	126767
PubChem CID:	50977573
Reduced:	ON6C18H20 (1)
Stoich.:	AB6C18D20 (1)
Weight, g/mol:	349.153875
ΔH_f, kcal/mol:	71.97
Dipole, Da:	6.57
IP(EA), eV:	-9.46(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-methoxyphenyl)azetidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=NNC(=C1)C2CC(=O)N=C3C2=C(NN3)C4=CN=CC=C4

DOS

IR

Vibrations