Geometry & MOs

Info

ID:	145518
PubChem CID:	53536742
Reduced:	SO2N3C17H29 (1)
Stoich.:	AB2C3D17E29 (1)
Weight, g/mol:	237.107754
ΔH_f, kcal/mol:	-82.67
Dipole, Da:	2.45
IP(EA), eV:	-9.05(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4-difluorophenyl)methyl]-2-pyrazol-1-ylethanamine

Drug info:

PubChemData

Smile

CC(C)(C)C(C1=CC=CS1)NC(=O)CN2CCN(CC2)CCO

DOS

IR

Vibrations