Geometry & MOs

Info

ID:	126464
PubChem CID:	50965797
Reduced:	OSN5C14H23 (1)
Stoich.:	ABC5D14E23 (1)
Weight, g/mol:	376.164774
ΔH_f, kcal/mol:	5.6
Dipole, Da:	7.69
IP(EA), eV:	-8.89(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=NN1)SCC(=O)NCC2CCN(C2)CC=C

DOS

IR

Vibrations