Geometry & MOs

Info

ID:	433341
PubChem CID:	135173478
Reduced:	F2S2N7O7C45H45 (1)
Stoich.:	A2B2C7D7E45F45 (1)
Weight, g/mol:	295.262363
ΔH_f, kcal/mol:	-251.9
Dipole, Da:	9.17
IP(EA), eV:	-8.74(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-methylpropyl)piperazin-1-yl]-(1-propylpiperidin-4-yl)methanone

Drug info:

PubChemData

Smile

CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)C4=CC(=CC=C4)OCCCC(=O)NCC(=O)N5CCCC5C(=O)NCC6=CC=C(C=C6)C7=C(N=CS7)C)F

DOS

IR

Vibrations