Geometry & MOs

Info

ID:	284570
PubChem CID:	104053151
Reduced:	NOS2C15H23 (1)
Stoich.:	ABC2D15E23 (1)
Weight, g/mol:	309.17625
ΔH_f, kcal/mol:	-33.57
Dipole, Da:	1.95
IP(EA), eV:	-8.48(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methoxy-2,5-dimethylphenyl)-(1,4-oxathian-2-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OC)C)C(C2CSCCS2)NC

DOS

IR

Vibrations