Geometry & MOs

Info

ID:	130794
PubChem CID:	51107836
Reduced:	O2N3H13C15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	343.128054
ΔH_f, kcal/mol:	-8.73
Dipole, Da:	4.79
IP(EA), eV:	-8.47(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC3=C(C=C2)NN=C3)O

DOS

IR

Vibrations