Geometry & MOs

Info

ID:	425944
PubChem CID:	135133172
Reduced:	NO4C19H37 (1)
Stoich.:	AB4C19D37 (1)
Weight, g/mol:	418.158975
ΔH_f, kcal/mol:	-265.73
Dipole, Da:	0.91
IP(EA), eV:	-9.97(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(Z)-amino-[4-cyano-5-[(2Z)-2-hydrazinylidene-1-iminopentan-3-yl]-3-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrol-2-ylidene]methyl]methanimidamide

Drug info:

PubChemData

Smile

CCCCCC(CCCC)OC(=O)CCCNC(=O)OC(C)(C)C

DOS

IR

Vibrations