Geometry & MOs

Info

ID:	256592
PubChem CID:	103140052
Reduced:	BrNOC12H22 (1)
Stoich.:	ABCD12E22 (1)
Weight, g/mol:	275.08848
ΔH_f, kcal/mol:	-72.53
Dipole, Da:	1.2
IP(EA), eV:	-8.77(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(bromomethyl)-3-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrrolidine

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2CCC(C2)CCBr

DOS

IR

Vibrations