Geometry & MOs

Info

ID:	37777
PubChem CID:	8024357
Reduced:	NOC9H12 (2)
Stoich.:	ABC9D12 (2)
Weight, g/mol:	359.105211
ΔH_f, kcal/mol:	-56.69
Dipole, Da:	3.87
IP(EA), eV:	-8.88(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]ethanone

Drug info:

PubChemData

Smile

CC1CCN(CC1)C[C@H](CN2C=C(C3=CC=CC=C32)C=O)O

DOS

IR

Vibrations