Geometry & MOs

Info

ID:	291252
PubChem CID:	111978288
Reduced:	BrN4C17H25 (1)
Stoich.:	AB4C17D25 (1)
Weight, g/mol:	392.15756
ΔH_f, kcal/mol:	50.86
Dipole, Da:	3.42
IP(EA), eV:	-8.72(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromophenyl)methyl]-1-ethyl-3-[1-(2-methylprop-2-enyl)piperidin-4-yl]guanidine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations