Geometry & MOs

Info

ID:	329073
PubChem CID:	126731078
Reduced:	N2O2C9H18 (1)
Stoich.:	A2B2C9D18 (1)
Weight, g/mol:	307.14331
ΔH_f, kcal/mol:	-99.32
Dipole, Da:	4.86
IP(EA), eV:	-9.01(1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-methyl-5-(2-methylpyrimidin-5-yl)-2-phenylpyrazol-3-yl]acetamide

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H]1C(=O)N)CCOC

DOS

IR

Vibrations