Geometry & MOs

Info

ID:	261554
PubChem CID:	103240106
Reduced:	NO2C18H27 (1)
Stoich.:	AB2C18D27 (1)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	-100.09
Dipole, Da:	6.35
IP(EA), eV:	-9.24(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-cyanophenyl)methylamino]pentanoic acid

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)CNCCC2CCCCC2)C(=O)O

DOS

IR

Vibrations