Geometry & MOs

Info

ID:	226269
PubChem CID:	87350281
Reduced:	FOSN5C22H22 (1)
Stoich.:	ABCD5E22F22 (1)
Weight, g/mol:	381.05481
ΔH_f, kcal/mol:	34.6
Dipole, Da:	2.08
IP(EA), eV:	-8.68(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]-2-(3-methyl-4-nitrophenyl)acetaldehyde

Drug info:

PubChemData

Smile

CC[C@@H](C1=CCN(C=C1)SC)NC(=O)C2=CN=CC3=C2C=NN3C4=CC=C(C=C4)F

DOS

IR

Vibrations