Geometry & MOs

Info

ID:	156430
PubChem CID:	56370564
Reduced:	NO5C25H33 (1)
Stoich.:	AB5C25D33 (1)
Weight, g/mol:	405.241627
ΔH_f, kcal/mol:	-177.03
Dipole, Da:	3.64
IP(EA), eV:	-8.18(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1OC)C(=O)N2CCCCC2CCC3=CC(=C(C=C3)OC)OC)OC

DOS

IR

Vibrations