Geometry & MOs

Info

ID:	37971
PubChem CID:	8025995
Reduced:	OSN4C18H25 (1)
Stoich.:	ABC4D18E25 (1)
Weight, g/mol:	367.178358
ΔH_f, kcal/mol:	0.41
Dipole, Da:	5.16
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.817864
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2,4-dimethoxyphenyl)methyl-methylamino]methyl]-7-ethylchromen-2-one

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)C[N+]45CCN(CC4)CC5

DOS

IR

Vibrations