Geometry & MOs

Info

ID:	244274
PubChem CID:	99319643
Reduced:	N2O5H26C28 (1)
Stoich.:	A2B5C26D28 (1)
Weight, g/mol:	353.156184
ΔH_f, kcal/mol:	-134.64
Dipole, Da:	6.16
IP(EA), eV:	-9.31(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-propan-2-ylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)C(=O)NCCNC(=O)CC4=CC=CC=C4

DOS

IR

Vibrations