Geometry & MOs

Info

ID:	147489
PubChem CID:	53787145
Reduced:	ClN2O3C24H27 (1)
Stoich.:	AB2C3D24E27 (1)
Weight, g/mol:	226.125218
ΔH_f, kcal/mol:	-85.22
Dipole, Da:	2.45
IP(EA), eV:	-8.94(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-(dipropylamino)-3-iminopropanethioamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)CCN2CCN(CC2)C(=O)C=CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations