Geometry & MOs

Info

ID:	294434
PubChem CID:	117460920
Reduced:	BrNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	285.03644
ΔH_f, kcal/mol:	-59.07
Dipole, Da:	2.9
IP(EA), eV:	-8.72(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-bromo-2-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1O)C2CCCCN2)Br

DOS

IR

Vibrations