Geometry & MOs

Info

ID:	189420
PubChem CID:	77853224
Reduced:	O2N3C21H23 (1)
Stoich.:	A2B3C21D23 (1)
Weight, g/mol:	275.152144
ΔH_f, kcal/mol:	-22.71
Dipole, Da:	5.99
IP(EA), eV:	-9.42(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3-ethylphenoxy)azetidin-1-yl]-(oxolan-2-yl)methanone

Drug info:

PubChemData

Smile

C1CC1CN2C3CCC(C2=O)CN(C3)C(=O)C4=CC5=CC=CC=C5N=C4

DOS

IR

Vibrations