Geometry & MOs

Info

ID:	291321
PubChem CID:	111978630
Reduced:	ON4C21H32 (1)
Stoich.:	AB4C21D32 (1)
Weight, g/mol:	420.0961
ΔH_f, kcal/mol:	-13.28
Dipole, Da:	2.43
IP(EA), eV:	-8.92(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[[N-[(4-bromo-2-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

CCNC(=NCC(=O)N1CCC(CC1)CC2=CC=CC=C2)NCC3CC3

DOS

IR

Vibrations