Geometry & MOs

Info

ID:	284029
PubChem CID:	104028288
Reduced:	BrO2N3C14H20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	352.11503
ΔH_f, kcal/mol:	-73.41
Dipole, Da:	2.55
IP(EA), eV:	-8.76(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-bromo-N-(3,3,5,5-tetramethylcyclohexyl)benzamide

Drug info:

PubChemData

Smile

CN(C)CC1CC(CN1C(=O)C2=C(C(=CC=C2)N)Br)O

DOS

IR

Vibrations