Geometry & MOs

Info

ID:	177983
PubChem CID:	76260046
Reduced:	F3N4O4C21H29 (1)
Stoich.:	A3B4C4D21E29 (1)
Weight, g/mol:	408.204907
ΔH_f, kcal/mol:	-315.32
Dipole, Da:	6.89
IP(EA), eV:	-9.1(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]-3-(2-methoxy-5-methylphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1C(C(=O)NC(N1)N2CCOCC2)CCC(=O)NCCOC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations