Geometry & MOs

Info

ID:	310179
PubChem CID:	126576237
Reduced:	ClO3N4H21C24 (1)
Stoich.:	AB3C4D21E24 (1)
Weight, g/mol:	468.276823
ΔH_f, kcal/mol:	-56.31
Dipole, Da:	2.06
IP(EA), eV:	-9.13(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(E)-1-[4-chloro-2-(methylideneamino)phenyl]prop-1-enyl]-N-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)hexane-1,6-diamine

Drug info:

PubChemData

Smile

C1CN(CCC1O)C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C4=C(C=C5C(=N4)NC(=O)N5)Cl

DOS

IR

Vibrations