Geometry & MOs

Info

ID:	200923
PubChem CID:	79462398
Reduced:	ClN3C14H16 (1)
Stoich.:	AB3C14D16 (1)
Weight, g/mol:	211.168462
ΔH_f, kcal/mol:	26.85
Dipole, Da:	3.03
IP(EA), eV:	-8.16(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-aminocyclopentyl)amino]-N-cyclopropylpropanamide

Drug info:

PubChemData

Smile

C1CC(CC1N)NC2=C3C(=C(C=C2)Cl)C=CC=N3

DOS

IR

Vibrations