Geometry & MOs

Info

ID:	205855
PubChem CID:	80165185
Reduced:	OSF3H13C15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	245.164046
ΔH_f, kcal/mol:	-155.01
Dipole, Da:	2.11
IP(EA), eV:	-8.92(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[(1-methylpyrrolidin-3-yl)methyl]-3H-benzimidazole-2,5-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)C(C)O)SC2=C(C=CC(=C2)F)F

DOS

IR

Vibrations