Geometry & MOs

Info

ID:	39278
PubChem CID:	8140039
Reduced:	N3O3C17H22 (1)
Stoich.:	A3B3C17D22 (1)
Weight, g/mol:	315.158292
ΔH_f, kcal/mol:	-51.71
Dipole, Da:	6.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.990334
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[2-[(dimethylamino)methyl]phenyl]methylamino]-2-oxoethyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)CNC(=O)C2=CC=CO2

DOS

IR

Vibrations