Geometry & MOs

Info

ID:	156101
PubChem CID:	56369128
Reduced:	ON3C13H14 (2)
Stoich.:	AB3C13D14 (2)
Weight, g/mol:	463.192963
ΔH_f, kcal/mol:	26.21
Dipole, Da:	6.52
IP(EA), eV:	-9.01(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidin-2-yl]-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NN(C(=C2)NC(=O)CN3C(=O)N4CCCCCC4=N3)CC5=CC=CC=C5

DOS

IR

Vibrations