Geometry & MOs

Info

ID:	146814
PubChem CID:	53754126
Reduced:	FN2O5H26C28 (1)
Stoich.:	AB2C5D26E28 (1)
Weight, g/mol:	354.10552
ΔH_f, kcal/mol:	-129.51
Dipole, Da:	8.98
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.993416
Charge, e:	0

Chem-info

IUPAC name:

1-[1-amino-2-(dimethylamino)ethylidene]-3-(4-bromo-3-tert-butylphenyl)urea

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)C3CCC(C3)C4C(=O)C5=CC=CC=C5[N+]4=O)C6CC6

DOS

IR

Vibrations