Geometry & MOs

Info

ID:	291225
PubChem CID:	111978199
Reduced:	IN4C22H33 (1)
Stoich.:	AB4C22D33 (1)
Weight, g/mol:	447.14339
ΔH_f, kcal/mol:	34.29
Dipole, Da:	1.79
IP(EA), eV:	-8.76(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-2-fluorophenyl)methyl]-1-ethyl-3-[1-(5-methylpyridin-2-yl)piperidin-4-yl]guanidine

Drug info:

PubChemData

Smile

CCCCN1CCC(CC1)NC(=NC)NCC2=CC=CC3=CC=CC=C32.I

DOS

IR

Vibrations