Geometry & MOs

Info

ID:	214062
PubChem CID:	81066750
Reduced:	NO4C13H23 (1)
Stoich.:	AB4C13D23 (1)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	-214.67
Dipole, Da:	3.8
IP(EA), eV:	-10.0(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[4-(cyanomethyl)phenyl]carbamoylamino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)CC1CCCCO1

DOS

IR

Vibrations