Geometry & MOs

Info

ID:	345242
PubChem CID:	127269306
Reduced:	ON5C18H25 (1)
Stoich.:	AB5C18D25 (1)
Weight, g/mol:	393.205242
ΔH_f, kcal/mol:	17.42
Dipole, Da:	7.23
IP(EA), eV:	-8.86(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclopropylpiperazin-1-yl)-[1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidin-2-yl]methanone

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(C)CNC(=O)C2=CC=C(C=C2)N3C=NN=C3

DOS

IR

Vibrations