Geometry & MOs

Info

ID:	166354
PubChem CID:	74675908
Reduced:	ClON3C16H25 (1)
Stoich.:	ABC3D16E25 (1)
Weight, g/mol:	279.121906
ΔH_f, kcal/mol:	-28.93
Dipole, Da:	5.78
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753947
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[(2-azaniumylacetyl)amino]acetyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC1CCCC[NH+]1CCCNC(=O)NC2=CC(=CC=C2)Cl

DOS

IR

Vibrations