Geometry & MOs

Info

ID:	445531
PubChem CID:	135267653
Reduced:	INC16H32 (1)
Stoich.:	ABC16D32 (1)
Weight, g/mol:	212.99016
ΔH_f, kcal/mol:	-47.08
Dipole, Da:	2.84
IP(EA), eV:	-9.23(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-N-(methylideneamino)benzene-1,2-diamine

Drug info:

PubChemData

Smile

CCC(C1C(C(C1(C)CC(CC(C)C)I)C)C)N

DOS

IR

Vibrations