Geometry & MOs

Info

ID:	261075
PubChem CID:	103216339
Reduced:	NO2F3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	405.01049
ΔH_f, kcal/mol:	-212.38
Dipole, Da:	2.11
IP(EA), eV:	-9.01(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-iodophenyl)-(4-methoxy-2-propan-2-ylpyrazol-3-yl)methanamine

Drug info:

PubChemData

Smile

CCNC(COCC(F)(F)F)C1=CC2=C(O1)C=CC(=C2)C

DOS

IR

Vibrations