Geometry & MOs

Info

ID:	290171
PubChem CID:	104417156
Reduced:	ClO2N5C10H16 (1)
Stoich.:	AB2C5D10E16 (1)
Weight, g/mol:	284.173607
ΔH_f, kcal/mol:	-58.76
Dipole, Da:	3.56
IP(EA), eV:	-8.88(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(tert-butylamino)-3-oxopropyl]carbamoyl]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

COCCNC(=O)CCNC1=C(C(=NC=N1)Cl)N

DOS

IR

Vibrations