Geometry & MOs

Info

ID:	54162
PubChem CID:	14730560
Reduced:	SN6O6C33H34 (1)
Stoich.:	AB6C6D33E34 (1)
Weight, g/mol:	236.152478
ΔH_f, kcal/mol:	-106.99
Dipole, Da:	14.01
IP(EA), eV:	-8.57(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-phenylmethoxyoxane-3,4-diamine

Drug info:

PubChemData

Smile

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)N(CC#C)CC2=CC3=C(C=C2)NC(=NC3=O)CSC4=NC=CC=N4

DOS

IR

Vibrations