Geometry & MOs

Info

ID:	296908
PubChem CID:	117600383
Reduced:	O3N6C23H28 (1)
Stoich.:	A3B6C23D28 (1)
Weight, g/mol:	326.151809
ΔH_f, kcal/mol:	-27.72
Dipole, Da:	3.95
IP(EA), eV:	-8.8(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 3-(4-methoxyphenyl)-3-(4-methylphenyl)oxirane-2-carboxylate

Drug info:

PubChemData

Smile

COC1=NC=CC(=C1)C2=CNN(C2=O)C3=NC=C(C=C3)C(=O)NCCCN4CCCCC4

DOS

IR

Vibrations