Geometry & MOs

Info

ID:	74563
PubChem CID:	48422090
Reduced:	N2F3O3C17H21 (1)
Stoich.:	A2B3C3D17E21 (1)
Weight, g/mol:	393.18009
ΔH_f, kcal/mol:	-286.44
Dipole, Da:	3.89
IP(EA), eV:	-9.59(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-oxo-3-phenyl-1-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]propan-2-yl]carbamate

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC(C2)C(F)(F)F

DOS

IR

Vibrations