Geometry & MOs

Info

ID:	43005
PubChem CID:	10317706
Reduced:	NO3H19C25 (1)
Stoich.:	AB3C19D25 (1)
Weight, g/mol:	381.168856
ΔH_f, kcal/mol:	-26.24
Dipole, Da:	3.16
IP(EA), eV:	-8.47(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1C(N(C1=O)C2=CC3=CC=CC=C3C4=CC=CC=C42)C5=CC=CC=C5

DOS

IR

Vibrations