Geometry & MOs

Info

ID:	261626
PubChem CID:	103242481
Reduced:	O2N3C9H19 (1)
Stoich.:	A2B3C9D19 (1)
Weight, g/mol:	289.086956
ΔH_f, kcal/mol:	-103.58
Dipole, Da:	4.98
IP(EA), eV:	-9.51(1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(3-chlorophenyl)ethylamino]methyl]benzoic acid

Drug info:

PubChemData

Smile

C1CC(OC1)CCNCC(C(=O)N)N

DOS

IR

Vibrations