Geometry & MOs

Info

ID:	263265
PubChem CID:	103350662
Reduced:	BrO2N3C14H20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	356.07356
ΔH_f, kcal/mol:	8.49
Dipole, Da:	4.96
IP(EA), eV:	-8.93(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(3-bromo-5-nitrophenyl)methylamino]-4-methylcyclohexyl]methanol

Drug info:

PubChemData

Smile

CC(CN1CCCC1)NCC2=CC(=CC(=C2)Br)[N+](=O)[O-]

DOS

IR

Vibrations