Geometry & MOs

Info

ID:	196281
PubChem CID:	78804388
Reduced:	ClOF2S2N3H10C16 (1)
Stoich.:	ABC2D2E3F10G16 (1)
Weight, g/mol:	273.184112
ΔH_f, kcal/mol:	-43.58
Dipole, Da:	3.55
IP(EA), eV:	-9.13(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethylpyrazol-1-yl)-N-[(3-methoxyphenyl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CSC(=N2)NC(=O)C3=C(N=CC=C3)SC(F)F)Cl

DOS

IR

Vibrations