Geometry & MOs

Info

ID:	165130
PubChem CID:	74503447
Reduced:	SN2O3C20H31 (1)
Stoich.:	AB2C3D20E31 (1)
Weight, g/mol:	368.173607
ΔH_f, kcal/mol:	-98.73
Dipole, Da:	5.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755615
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]-(6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl)methanone

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC(=O)CCC2CC[NH+](CC2)C3CCSC3)OC

DOS

IR

Vibrations