Geometry & MOs

Info

ID:	405938
PubChem CID:	135076036
Reduced:	O2C9H11 (2)
Stoich.:	A2B9C11 (2)
Weight, g/mol:	309.122107
ΔH_f, kcal/mol:	-146.48
Dipole, Da:	3.15
IP(EA), eV:	-9.52(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-N-[(2-prop-2-enyl-1,3-dithian-2-yl)methyl]methanamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H]([C@@H](CC[C@H]([C@@H](C2=CC=CC=C2)O)O)O)O

DOS

IR

Vibrations