Geometry & MOs

Info

ID:	422357
PubChem CID:	135117687
Reduced:	FN5O5C31H38 (1)
Stoich.:	AB5C5D31E38 (1)
Weight, g/mol:	368.221226
ΔH_f, kcal/mol:	-195.22
Dipole, Da:	2.43
IP(EA), eV:	-8.9(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[[4-[3-(dimethylamino)-2-hydroxypropyl]piperazin-1-yl]methyl]furan-2-yl]benzonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)CCC(=O)N2CCCC(=O)NCC3=C(C=CC=C3F)OC4=C(C=C(C=C4)C(=O)NCCC2)OC

DOS

IR

Vibrations