Geometry & MOs

Info

ID:	291251
PubChem CID:	111978285
Reduced:	ION5C24H38 (1)
Stoich.:	ABC5D24E38 (1)
Weight, g/mol:	364.12626
ΔH_f, kcal/mol:	-15.63
Dipole, Da:	11.16
IP(EA), eV:	-7.81(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-bromophenyl)methyl]-2-methyl-3-(1-prop-2-enylpiperidin-4-yl)guanidine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations