Geometry & MOs

Info

ID:	291298
PubChem CID:	111978543
Reduced:	BrFION4C19H31 (1)
Stoich.:	ABCDE4F19G31 (1)
Weight, g/mol:	428.1587
ΔH_f, kcal/mol:	-82.6
Dipole, Da:	1.13
IP(EA), eV:	-8.91(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-bromo-2-fluorophenyl)methyl]-2-methyl-3-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]guanidine

Drug info:

PubChemData

Smile

CC(C)OCCN1CCC(CC1)NC(=NC)NCC2=C(C=C(C=C2)Br)F.I

DOS

IR

Vibrations