Geometry & MOs

Info

ID:	228043
PubChem CID:	87563274
Reduced:	NOC6H13 (2)
Stoich.:	ABC6D13 (2)
Weight, g/mol:	415.200825
ΔH_f, kcal/mol:	-112.1
Dipole, Da:	6.91
IP(EA), eV:	-9.55(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-3-nitro-2-[4-[(E)-3-[3-(1H-pyrazol-5-ylmethyl)phenyl]prop-2-enylidene]piperidin-1-yl]pyridine

Drug info:

PubChemData

Smile

CCCCCN(CCCCC)NCC(=O)O

DOS

IR

Vibrations