Geometry & MOs

Info

ID:	441741
PubChem CID:	135243007
Reduced:	INOC4H6 (1)
Stoich.:	ABCD4E6 (1)
Weight, g/mol:	211.132077
ΔH_f, kcal/mol:	-4.11
Dipole, Da:	4.96
IP(EA), eV:	-9.78(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2E)-3-amino-N-[(2S)-2-hydroxypropyl]-2-[(methylideneamino)methylidene]pent-3-enamide

Drug info:

PubChemData

Smile

C1CNC1C(=O)I

DOS

IR

Vibrations