Geometry & MOs

Info

ID:	111124
PubChem CID:	50352963
Reduced:	O3N4C29H40 (1)
Stoich.:	A3B4C29D40 (1)
Weight, g/mol:	508.26857
ΔH_f, kcal/mol:	-134.34
Dipole, Da:	7.45
IP(EA), eV:	-8.75(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=CC=C(C=C3)C(C)C)C(=O)NCC(C)C

DOS

IR

Vibrations