Geometry & MOs

Info

ID:	255750
PubChem CID:	103134495
Reduced:	S2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	265.09819
ΔH_f, kcal/mol:	83.18
Dipole, Da:	2.61
IP(EA), eV:	-8.43(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenoxy)-1-(1-methylpyrazol-3-yl)propan-1-amine

Drug info:

PubChemData

Smile

CCCNC(C1=NN(C=C1)C)C2=CC3=C(S2)C=CS3

DOS

IR

Vibrations