Geometry & MOs

Info

ID:	152342
PubChem CID:	56311257
Reduced:	FO2N3C23H28 (1)
Stoich.:	AB2C3D23E28 (1)
Weight, g/mol:	449.231456
ΔH_f, kcal/mol:	-109.18
Dipole, Da:	1.2
IP(EA), eV:	-9.1(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-[4-[[2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetyl]amino]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CNC(=O)CN2CCN(CC2)C(=O)CC3=CC=CC=C3C)F

DOS

IR

Vibrations