Geometry & MOs

Info

ID:	172417
PubChem CID:	75507633
Reduced:	N3O3C17H19 (1)
Stoich.:	A3B3C17D19 (1)
Weight, g/mol:	293.12949
ΔH_f, kcal/mol:	-47.58
Dipole, Da:	5.98
IP(EA), eV:	-9.47(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenyl)-1-[(1-ethylpyrazol-4-yl)methylamino]propan-2-ol

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)C(=O)NC3(CCOCC3)C4=NOC=N4

DOS

IR

Vibrations