Geometry & MOs

Info

ID:	333850
PubChem CID:	127252402
Reduced:	N2O2C19H24 (1)
Stoich.:	A2B2C19D24 (1)
Weight, g/mol:	326.163043
ΔH_f, kcal/mol:	-29.71
Dipole, Da:	3.19
IP(EA), eV:	-8.6(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxyphenyl)-[6-(pyridin-2-ylmethyl)-1,4-oxazepan-4-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2CCOCC(C2)CC3=CC=CC=N3

DOS

IR

Vibrations