Geometry & MOs

Info

ID:	291336
PubChem CID:	111978677
Reduced:	IOF2N4C23H29 (1)
Stoich.:	ABC2D4E23F29 (1)
Weight, g/mol:	367.04957
ΔH_f, kcal/mol:	-84.63
Dipole, Da:	5.13
IP(EA), eV:	-9.41(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-bromophenyl)methyl]-3-[(2,5-difluorophenyl)methyl]-2-methylguanidine

Drug info:

PubChemData

Smile

CN=C(NCC1=C(C=CC(=C1)F)F)NCC(=O)N2CCC(CC2)CC3=CC=CC=C3.I

DOS

IR

Vibrations