Geometry & MOs

Info

ID:	70918
PubChem CID:	48414046
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	312.104482
ΔH_f, kcal/mol:	-87.02
Dipole, Da:	4.33
IP(EA), eV:	-9.29(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)NCC2=C(NN=C2)C

DOS

IR

Vibrations