Geometry & MOs

Info

ID:	416102
PubChem CID:	135089110
Reduced:	O2N4C21H32 (1)
Stoich.:	A2B4C21D32 (1)
Weight, g/mol:	345.099252
ΔH_f, kcal/mol:	-57.07
Dipole, Da:	2.51
IP(EA), eV:	-8.14(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)-5-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2CCN(CC2)CC(=O)N3C[C@H]4CN([C@@H](C3)COC4)C

DOS

IR

Vibrations