Geometry & MOs

Info

ID:	82328
PubChem CID:	49855896
Reduced:	ClFOSN4H22C23 (1)
Stoich.:	ABCDE4F22G23 (1)
Weight, g/mol:	442.294391
ΔH_f, kcal/mol:	-1.45
Dipole, Da:	8.8
IP(EA), eV:	-8.44(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NC(=C(S1)C2=CC=C(C=C2)F)C(=O)N3CC4(CC4)CC3CNC5=NC=C(C=C5)Cl

DOS

IR

Vibrations