Geometry & MOs

Info

ID:	338007
PubChem CID:	127258630
Reduced:	NO2C20H41 (1)
Stoich.:	AB2C20D41 (1)
Weight, g/mol:	193.110279
ΔH_f, kcal/mol:	-180.14
Dipole, Da:	2.48
IP(EA), eV:	-9.43(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-aminophenyl)methyl butanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC(CCCOC(=O)CCC)N

DOS

IR

Vibrations