Geometry & MOs

Info

ID:	430376
PubChem CID:	135170440
Reduced:	O3N4C36H42 (1)
Stoich.:	A3B4C36D42 (1)
Weight, g/mol:	192.087433
ΔH_f, kcal/mol:	-47.39
Dipole, Da:	4.79
IP(EA), eV:	-8.2(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-5-(1,1,1-trifluoropropan-2-yl)pyrazole

Drug info:

PubChemData

Smile

CC(=C)C(=O)NCCCNCC1=C2C=CC(=CC2=C(C3=CC=CC=C31)CNCCCNC(=O)C(=C)C)C4=CC(=CC=C4)O

DOS

IR

Vibrations