Geometry & MOs

Info

ID:	172440
PubChem CID:	75510789
Reduced:	SN2O4C16H16 (1)
Stoich.:	AB2C4D16E16 (1)
Weight, g/mol:	419.19574
ΔH_f, kcal/mol:	-88.51
Dipole, Da:	9.41
IP(EA), eV:	-9.27(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(1H-benzimidazol-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone

Drug info:

PubChemData

Smile

C1C(N(N=C1C2=CC=CO2)C(=O)CCCC(=O)O)C3=CC=CS3

DOS

IR

Vibrations