Geometry & MOs

Info

ID:	255230
PubChem CID:	103130777
Reduced:	ClO2N3C15H20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	273.184112
ΔH_f, kcal/mol:	-19.55
Dipole, Da:	3.94
IP(EA), eV:	-8.62(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methoxyphenyl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CCNC(C1=NN(C=C1)C)C2=CC(=C(C(=C2)Cl)OC)OC

DOS

IR

Vibrations