Geometry & MOs

Info

ID:	263299
PubChem CID:	103354001
Reduced:	BrON4C13H21 (1)
Stoich.:	ABC4D13E21 (1)
Weight, g/mol:	299.093977
ΔH_f, kcal/mol:	-19.59
Dipole, Da:	4.81
IP(EA), eV:	-9.11(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-aminocyclobutyl)methyl]-4-methylsulfonyl-2-nitroaniline

Drug info:

PubChemData

Smile

CCCCN1C(=O)C(=C(C=N1)NCC2(CCC2)N)Br

DOS

IR

Vibrations