Geometry & MOs

Info

ID:	131415
PubChem CID:	51201730
Reduced:	OSN4C19H20 (1)
Stoich.:	ABC4D19E20 (1)
Weight, g/mol:	311.138225
ΔH_f, kcal/mol:	57.36
Dipole, Da:	4.64
IP(EA), eV:	-9.11(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,5-dimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)N2C=NC=N2)N(C)C(=O)CSC3=CC=CC=C3

DOS

IR

Vibrations