Geometry & MOs

Info

ID:	169382
PubChem CID:	75097733
Reduced:	ON2H16C19 (1)
Stoich.:	AB2C16D19 (1)
Weight, g/mol:	363.168188
ΔH_f, kcal/mol:	63.67
Dipole, Da:	4.44
IP(EA), eV:	-9.26(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-enedioic acid;1-(3-methoxyphenyl)-2-piperidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1(C(C=C(NC1=O)C2=CC=CC=C2)C3=CC=CC=C3)[N+]#[C-]

DOS

IR

Vibrations