Geometry & MOs

Info

ID:	290317
PubChem CID:	104427602
Reduced:	N3O4C14H19 (1)
Stoich.:	A3B4C14D19 (1)
Weight, g/mol:	287.184506
ΔH_f, kcal/mol:	-169.56
Dipole, Da:	6.31
IP(EA), eV:	-9.43(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCNC(=O)CCNC(=O)NC1=C(C=CC=C1C(=O)O)C

DOS

IR

Vibrations