Geometry & MOs

Info

ID:	129571
PubChem CID:	51073140
Reduced:	SN2O2C11H14 (1)
Stoich.:	AB2C2D11E14 (1)
Weight, g/mol:	251.088848
ΔH_f, kcal/mol:	-68.1
Dipole, Da:	1.57
IP(EA), eV:	-9.12(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine;hydrochloride

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(=O)N2CCNC(=O)C2)C

DOS

IR

Vibrations