Geometry & MOs

Info

ID:	425966
PubChem CID:	135133781
Reduced:	OCl2N6C35H40 (1)
Stoich.:	AB2C6D35E40 (1)
Weight, g/mol:	253.102668
ΔH_f, kcal/mol:	23.49
Dipole, Da:	5.74
IP(EA), eV:	-8.34(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(aminomethylidene)-N'-(2,4-difluorophenyl)-3-oxopentanimidamide

Drug info:

PubChemData

Smile

CCC(C1=CC(=CC=C1)Cl)N2CCN3C=C(C=C3C2=O)C4=NC(=NC=C4C)NC5=C(C=C(C=C5)C6CCN(CC6)C(C)C)Cl

DOS

IR

Vibrations