Geometry & MOs

Info

ID:	295104
PubChem CID:	117517476
Reduced:	BrN3O3H10C14 (1)
Stoich.:	AB3C3D10E14 (1)
Weight, g/mol:	347.08848
ΔH_f, kcal/mol:	-0.64
Dipole, Da:	0.87
IP(EA), eV:	-9.41(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(7-bromo-3-methoxynaphthalen-2-yl)cyclohexyl]methanamine

Drug info:

PubChemData

Smile

CC1=NC=CN1C2=C(C=C(C=C2)C3=CC(=NO3)C(=O)O)Br

DOS

IR

Vibrations