Geometry & MOs

Info

ID:	154058
PubChem CID:	56313442
Reduced:	BrO2N4H17C20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	383.182062
ΔH_f, kcal/mol:	-7.22
Dipole, Da:	3.46
IP(EA), eV:	-9.32(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br)C

DOS

IR

Vibrations