Geometry & MOs

Info

ID:	291240
PubChem CID:	111978249
Reduced:	IO2N5C25H42 (1)
Stoich.:	AB2C5D25E42 (1)
Weight, g/mol:	396.15247
ΔH_f, kcal/mol:	-78.75
Dipole, Da:	13.43
IP(EA), eV:	-7.77(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN=C(NCC(=O)N1CCC(CC1)CC2=CC=CC=C2)NC3CCN(CC3)CCCOC.I

DOS

IR

Vibrations