Geometry & MOs

Info

ID:	329701
PubChem CID:	127246568
Reduced:	ClON5C14H16 (1)
Stoich.:	ABC5D14E16 (1)
Weight, g/mol:	307.14331
ΔH_f, kcal/mol:	25.93
Dipole, Da:	6.35
IP(EA), eV:	-9.3(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3H-benzimidazol-5-yl-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)C(=O)CN3C=C(C=N3)Cl

DOS

IR

Vibrations