Geometry & MOs

Info

ID:	245397
PubChem CID:	99444285
Reduced:	N2O3C21H26 (1)
Stoich.:	A2B3C21D26 (1)
Weight, g/mol:	381.205242
ΔH_f, kcal/mol:	-101.81
Dipole, Da:	1.48
IP(EA), eV:	-8.75(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1CCN(CC1)C(=O)C2=CC=C(C3=CC=CC=C32)OC

DOS

IR

Vibrations