Geometry & MOs

Info

ID:	291215
PubChem CID:	111978170
Reduced:	BrF2N4C20H23 (1)
Stoich.:	AB2C4D20E23 (1)
Weight, g/mol:	352.08987
ΔH_f, kcal/mol:	-29.2
Dipole, Da:	4.57
IP(EA), eV:	-8.19(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromophenyl)methyl]-1-ethyl-3-(6-oxopiperidin-3-yl)guanidine

Drug info:

PubChemData

Smile

CN=C(NCC1=C(C=C(C=C1)Br)F)NC2CCN(CC2)C3=CC(=CC=C3)F

DOS

IR

Vibrations