Geometry & MOs

Info

ID:	291238
PubChem CID:	111978244
Reduced:	BrON4C20H31 (1)
Stoich.:	ABC4D20E31 (1)
Weight, g/mol:	410.16812
ΔH_f, kcal/mol:	-42.18
Dipole, Da:	5.36
IP(EA), eV:	-9.09(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=NCC1=CC=C(C=C1)Br)NC2CCCC(C2)C(=O)NC(C)C

DOS

IR

Vibrations