Geometry & MOs

Info

ID:	427653
PubChem CID:	135160992
Reduced:	N2C9H20 (1)
Stoich.:	A2B9C20 (1)
Weight, g/mol:	315.185924
ΔH_f, kcal/mol:	-12.03
Dipole, Da:	2.36
IP(EA), eV:	-7.99(1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-6-methyl-2-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1-propan-2-ylbenzimidazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCC(/C(=C(\C)/NC)/C)NC

DOS

IR

Vibrations