Geometry & MOs

Info

ID:	43453
PubChem CID:	10321320
Reduced:	ClOSN5H16C23 (1)
Stoich.:	ABCD5E16F23 (1)
Weight, g/mol:	445.19209
ΔH_f, kcal/mol:	94.37
Dipole, Da:	1.47
IP(EA), eV:	-9.37(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-(4-chlorophenyl)pyridin-2-yl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=C(C=C3)C4=NC=C(S4)CN)C5=NC=C(C=C5)Cl

DOS

IR

Vibrations