Geometry & MOs

Info

ID:	332399
PubChem CID:	127250685
Reduced:	ON3C10H12 (2)
Stoich.:	AB3C10D12 (2)
Weight, g/mol:	402.180424
ΔH_f, kcal/mol:	22.17
Dipole, Da:	5.22
IP(EA), eV:	-8.97(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzimidazol-1-yl)-1-[2-[5-(1-methylpyrazol-4-yl)pyridin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=NN1CCC(=O)N2CCOC(C2)C3=NC=C(C=C3)C4=CN(N=C4)C

DOS

IR

Vibrations