Geometry & MOs

Info

ID:	58859
PubChem CID:	24714987
Reduced:	SN2O2C16H20 (1)
Stoich.:	AB2C2D16E20 (1)
Weight, g/mol:	345.194008
ΔH_f, kcal/mol:	-72.36
Dipole, Da:	2.95
IP(EA), eV:	-8.6(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[[cyclopropyl-[(2,3-dimethoxyphenyl)methyl]amino]methyl]furan-2-yl]propan-2-ol

Drug info:

PubChemData

Smile

CCC(=O)N1CCSC12C3=CC=CC=C3N(C2=O)C(C)C

DOS

IR

Vibrations