Geometry & MOs

Info

ID:	280752
PubChem CID:	103851097
Reduced:	NSO3C14H23 (1)
Stoich.:	ABC3D14E23 (1)
Weight, g/mol:	285.154035
ΔH_f, kcal/mol:	-138.26
Dipole, Da:	5.1
IP(EA), eV:	-9.15(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-difluorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine

Drug info:

PubChemData

Smile

CCCC1=C(SC(=C1)C(=O)NC(CCO)COC)C

DOS

IR

Vibrations