Geometry & MOs

Info

ID:	261695
PubChem CID:	103246073
Reduced:	NO3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	292.178693
ΔH_f, kcal/mol:	-97.77
Dipole, Da:	6.97
IP(EA), eV:	-9.32(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-acetamido-3-[(4-propan-2-ylphenyl)methylamino]propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C)NCC2=CC(=C(O2)C)C(=O)O

DOS

IR

Vibrations