Geometry & MOs

Info

ID:	206989
PubChem CID:	80329063
Reduced:	NO2C18H31 (1)
Stoich.:	AB2C18D31 (1)
Weight, g/mol:	290.235814
ΔH_f, kcal/mol:	-106.08
Dipole, Da:	2.95
IP(EA), eV:	-8.47(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(2,2-dimethylheptyl)-3-phenylpropanamide

Drug info:

PubChemData

Smile

CCCCCC(C)(C)CNC(C)C1=CC(=C(C=C1)O)OC

DOS

IR

Vibrations