Geometry & MOs

Info

ID:	154336
PubChem CID:	56313752
Reduced:	F2O2N3C25H25 (1)
Stoich.:	A2B2C3D25E25 (1)
Weight, g/mol:	423.072817
ΔH_f, kcal/mol:	-69.13
Dipole, Da:	3.53
IP(EA), eV:	-8.87(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2,4-dichlorophenoxy)propyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)CCN(CC1=CC(=CC=C1)F)C(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations