Geometry & MOs

Info

ID:	183098
PubChem CID:	76979608
Reduced:	NO4C16H21 (1)
Stoich.:	AB4C16D21 (1)
Weight, g/mol:	261.136493
ΔH_f, kcal/mol:	-132.29
Dipole, Da:	8.7
IP(EA), eV:	-9.09(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(1,4-oxazepan-4-ylmethyl)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1CN(CCOC1)CCOC2=CC=C(C=C2)C=CC(=O)O

DOS

IR

Vibrations