Geometry & MOs

Info

ID:	209482
PubChem CID:	80678009
Reduced:	BrNO2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	321.07283
ΔH_f, kcal/mol:	-88.19
Dipole, Da:	2.63
IP(EA), eV:	-8.81(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(bromomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCCC(=O)N2CCC(CC2)CBr

DOS

IR

Vibrations