Geometry & MOs

Info

ID:	291281
PubChem CID:	111978429
Reduced:	BrION4C20H32 (1)
Stoich.:	ABCD4E20F32 (1)
Weight, g/mol:	422.16812
ΔH_f, kcal/mol:	-22.66
Dipole, Da:	6.2
IP(EA), eV:	-9.0(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromophenyl)methyl]-1-ethyl-3-[1-(oxolan-3-ylmethyl)piperidin-4-yl]guanidine

Drug info:

PubChemData

Smile

CCNC(=NCC1=CC=C(C=C1)Br)NC2CCN(CC2)CC3CCOC3.I

DOS

IR

Vibrations