Geometry & MOs

Info

ID:	429873
PubChem CID:	135169927
Reduced:	ISN6H21C23 (1)
Stoich.:	ABC6D21E23 (1)
Weight, g/mol:	298.140531
ΔH_f, kcal/mol:	142.76
Dipole, Da:	4.62
IP(EA), eV:	-9.06(-2.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-2-[N-[(5Z)-5-(aminomethylidene)-6-methyliminocyclohexen-1-yl]-C-(trifluoromethyl)carbonimidoyl]buta-1,3-dien-1-amine

Drug info:

PubChemData

Smile

CN1CCC(CC1)NC2=C3C=C(C=CC3=NC=C2C#N)C4=CN(C5=C4C=CC=N5)SI

DOS

IR

Vibrations