Geometry & MOs

Info

ID:	110672
PubChem CID:	50335225
Reduced:	N4O5C27H34 (1)
Stoich.:	A4B5C27D34 (1)
Weight, g/mol:	520.26857
ΔH_f, kcal/mol:	-183.43
Dipole, Da:	7.59
IP(EA), eV:	-8.48(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCCO4)C

DOS

IR

Vibrations