Geometry & MOs

Info

ID:	245939
PubChem CID:	103030196
Reduced:	S2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	275.163377
ΔH_f, kcal/mol:	82.25
Dipole, Da:	1.73
IP(EA), eV:	-8.6(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine

Drug info:

PubChemData

Smile

CNC(CCC1=CN(N=C1)C)C2=CC3=C(S2)C=CS3

DOS

IR

Vibrations