Geometry & MOs

Info

ID:	174323
PubChem CID:	75751504
Reduced:	BrNO3C19H25 (1)
Stoich.:	ABC3D19E25 (1)
Weight, g/mol:	356.124429
ΔH_f, kcal/mol:	-76.16
Dipole, Da:	2.43
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.135737
Charge, e:	1

Chem-info

IUPAC name:

[2-[[4-(difluoromethoxy)phenyl]carbamoylamino]-1-thiophen-3-ylethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1OC)[NH+](C)CC(COC2=CC=C(C=C2)Br)O

DOS

IR

Vibrations