Geometry & MOs

Info

ID:	326820
PubChem CID:	126688286
Reduced:	F3N4O4H23C24 (1)
Stoich.:	A3B4C4D23E24 (1)
Weight, g/mol:	442.125275
ΔH_f, kcal/mol:	-230.67
Dipole, Da:	3.54
IP(EA), eV:	-8.94(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-prop-2-ynylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C1CC12COCC(=O)N2C3=CC4=C(C=C3)N(C(=N4)NC(=O)C5=CC(=CC=C5)C(F)(F)F)CCCO

DOS

IR

Vibrations