Geometry & MOs

Info

ID:	43392
PubChem CID:	10321222
Reduced:	N3O4C19H30 (1)
Stoich.:	A3B4C19D30 (1)
Weight, g/mol:	444.152158
ΔH_f, kcal/mol:	-172.94
Dipole, Da:	3.38
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.969022
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[methyl(propan-2-yl)amino]-3H-benzimidazol-5-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C[N+]1=CC=CC=C1CN2CCN(CC2)C(=O)OC(C)(C)C

DOS

IR

Vibrations