Geometry & MOs

Info

ID:	255921
PubChem CID:	103135637
Reduced:	ClSN3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	251.08254
ΔH_f, kcal/mol:	53.69
Dipole, Da:	2.65
IP(EA), eV:	-8.84(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-2-methoxyphenyl)-(1-methylpyrazol-3-yl)methanamine

Drug info:

PubChemData

Smile

CCCNC(C1=NN(C=C1)C)C2=C(C=CS2)Cl

DOS

IR

Vibrations