Geometry & MOs

Info

ID:	443292
PubChem CID:	135258422
Reduced:	ClN2O3C9H9 (1)
Stoich.:	AB2C3D9E9 (1)
Weight, g/mol:	115.110947
ΔH_f, kcal/mol:	-81.75
Dipole, Da:	1.17
IP(EA), eV:	-10.68(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-[amino(ethyl)amino]prop-1-en-2-amine

Drug info:

PubChemData

Smile

COC(=O)C1=NC=C(C=C1)/C(=N/CO)/Cl

DOS

IR

Vibrations