Geometry & MOs

Info

ID:	145066
PubChem CID:	53455029
Reduced:	N3O4C19H26 (1)
Stoich.:	A3B4C19D26 (1)
Weight, g/mol:	249.123917
ΔH_f, kcal/mol:	-161.76
Dipole, Da:	9.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.796745
Charge, e:	-1

Chem-info

IUPAC name:

3-phenyl-2-(propylcarbamoylamino)propanoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)NC3CCCCC3[NH2+]2

DOS

IR

Vibrations