Geometry & MOs

Info

ID:	379699
PubChem CID:	134459541
Reduced:	BrOF2N3H14C18 (1)
Stoich.:	ABC2D3E14F18 (1)
Weight, g/mol:	298.06808
ΔH_f, kcal/mol:	-64.83
Dipole, Da:	3.94
IP(EA), eV:	-9.4(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-amino-4-bromoanilino)-1-methylcyclohexan-1-ol

Drug info:

PubChemData

Smile

C1C[C@H](N(C(=O)C1)C2=CC(=C(C=C2)F)F)C3=NC4=C(N3)C=C(C=C4)Br

DOS

IR

Vibrations