Geometry & MOs

Info

ID:	338081
PubChem CID:	127258712
Reduced:	NO2C22H45 (1)
Stoich.:	AB2C22D45 (1)
Weight, g/mol:	229.086957
ΔH_f, kcal/mol:	-190.18
Dipole, Da:	2.53
IP(EA), eV:	-9.42(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-aminophenyl)methyl butanoate;hydrochloride

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCC(CCCOC(=O)CCC)N

DOS

IR

Vibrations