Geometry & MOs

Info

ID:	145944
PubChem CID:	53616995
Reduced:	N3O3C17H21 (1)
Stoich.:	A3B3C17D21 (1)
Weight, g/mol:	313.099731
ΔH_f, kcal/mol:	-88.96
Dipole, Da:	2.72
IP(EA), eV:	-8.52(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCCCNC(=O)C2=C(C(=NNC2=O)C)C

DOS

IR

Vibrations