Geometry & MOs

Info

ID:	267402
PubChem CID:	103582113
Reduced:	BrON2C17H19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	297.07283
ΔH_f, kcal/mol:	-33.57
Dipole, Da:	4.64
IP(EA), eV:	-8.26(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3,5-dimethyl-N-[1-(oxolan-3-yl)ethyl]aniline

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)NC2CCCC3=C2C=CC(=O)N3

DOS

IR

Vibrations