Geometry & MOs

Info

ID:	59861
PubChem CID:	24900443
Reduced:	O2N7C32H41 (1)
Stoich.:	A2B7C32D41 (1)
Weight, g/mol:	459.288577
ΔH_f, kcal/mol:	23.51
Dipole, Da:	6.15
IP(EA), eV:	-8.34(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-benzoylanilino)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)NC2=NC=NC3=C2C=C(N3)C4=CC=C(C=C4)CN5CCN(CC5)CCCCCCC(=O)NO

DOS

IR

Vibrations