Geometry & MOs

Info

ID:	39277
PubChem CID:	8140036
Reduced:	ClO2N3C19H23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	316.166117
ΔH_f, kcal/mol:	-31.34
Dipole, Da:	2.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.004058
Charge, e:	1

Chem-info

IUPAC name:

[2-[[[2-(furan-2-carbonylamino)acetyl]amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations