Geometry & MOs

Info

ID:	294152
PubChem CID:	117428347
Reduced:	BrNOC12H16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	269.04153
ΔH_f, kcal/mol:	-27.8
Dipole, Da:	5.04
IP(EA), eV:	-8.7(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-bromo-4-[(dimethylamino)methyl]phenyl]cyclopropan-1-ol

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2Br)CCCCN

DOS

IR

Vibrations