Geometry & MOs

Info

ID:	41512
PubChem CID:	8146046
Reduced:	ClN2O4C17H19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	272.125983
ΔH_f, kcal/mol:	-137.21
Dipole, Da:	4.37
IP(EA), eV:	-9.21(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)acetamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CCCN(C1)CN2C3=C(C=C(C=C3)Cl)C(=O)C2=O

DOS

IR

Vibrations