Geometry & MOs

Info

ID:	260750
PubChem CID:	103202797
Reduced:	ClO2N4H11C13 (1)
Stoich.:	AB2C4D11E13 (1)
Weight, g/mol:	302.093439
ΔH_f, kcal/mol:	58.12
Dipole, Da:	4.75
IP(EA), eV:	-9.24(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-4-[(5-cyano-1-methylpyrrol-3-yl)methylamino]phenyl]acetamide

Drug info:

PubChemData

Smile

CN1C=C(C=C1C#N)CNC2=C(C=CC(=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations