Geometry & MOs

Info

ID:	243134
PubChem CID:	99215899
Reduced:	O2S2N4C23H26 (1)
Stoich.:	A2B2C4D23E26 (1)
Weight, g/mol:	436.247441
ΔH_f, kcal/mol:	-15.85
Dipole, Da:	4.4
IP(EA), eV:	-8.66(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-[(prop-2-enoylamino)methyl]benzamide

Drug info:

PubChemData

Smile

C1CCN(C1)[C@H](CNC(=O)[C@H]2CSCN2C(=O)C3=CNC4=CC=CC=C43)C5=CC=CS5

DOS

IR

Vibrations