Geometry & MOs

Info

ID:	330181
PubChem CID:	127247168
Reduced:	O2N3C18H19 (1)
Stoich.:	A2B3C18D19 (1)
Weight, g/mol:	309.15896
ΔH_f, kcal/mol:	-13.76
Dipole, Da:	4.28
IP(EA), eV:	-9.18(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzimidazol-1-yl)-1-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC2=C(O1)C=CC(=C2)C(=O)N3CCC(C3)C4=C(C=NN4)C

DOS

IR

Vibrations