Geometry & MOs

Info

ID:	335683
PubChem CID:	127254545
Reduced:	N3O5H19C22 (1)
Stoich.:	A3B5C19D22 (1)
Weight, g/mol:	368.184841
ΔH_f, kcal/mol:	-70.03
Dipole, Da:	4.27
IP(EA), eV:	-8.22(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-4-oxo-1H-pyridine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C2C3=CNNC3=NC4=C2C(=O)OC5=CC=CC=C54)OC)OC

DOS

IR

Vibrations