Geometry & MOs

Info

ID:	333849
PubChem CID:	127252401
Reduced:	N2O2C19H22 (1)
Stoich.:	A2B2C19D22 (1)
Weight, g/mol:	312.183778
ΔH_f, kcal/mol:	-37.62
Dipole, Da:	3.38
IP(EA), eV:	-9.27(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-methoxyphenyl)methyl]-6-(pyridin-2-ylmethyl)-1,4-oxazepane

Drug info:

PubChemData

Smile

C1COCC(CN1C(=O)CC2=CC=CC=C2)CC3=CC=CC=N3

DOS

IR

Vibrations