Geometry & MOs

Info

ID:	330666
PubChem CID:	127248073
Reduced:	O2N5C19H27 (1)
Stoich.:	A2B5C19D27 (1)
Weight, g/mol:	347.200905
ΔH_f, kcal/mol:	-42.13
Dipole, Da:	6.28
IP(EA), eV:	-8.19(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-fluorophenyl)-1-[3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CN2C=C(N=C2C=C1)C(=O)N3CCC(C3)(CN4CCN(CC4)C)O

DOS

IR

Vibrations