Geometry & MOs

Info

ID:	291195
PubChem CID:	111978137
Reduced:	BrIN4C20H26 (1)
Stoich.:	ABC4D20E26 (1)
Weight, g/mol:	400.12626
ΔH_f, kcal/mol:	61.33
Dipole, Da:	2.2
IP(EA), eV:	-8.35(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN=C(NCC1=CC=C(C=C1)Br)NC2CCN(CC2)C3=CC=CC=C3.I

DOS

IR

Vibrations