Geometry & MOs

Info

ID:	90071
PubChem CID:	49966166
Reduced:	NO2C16H25 (1)
Stoich.:	AB2C16D25 (1)
Weight, g/mol:	344.09277
ΔH_f, kcal/mol:	-100.56
Dipole, Da:	5.28
IP(EA), eV:	-9.23(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzoic acid

Drug info:

PubChemData

Smile

CC(CNCCC(=O)O)C1=CC=C(C=C1)C(C)(C)C

DOS

IR

Vibrations