Geometry & MOs

Info

ID:	296926
PubChem CID:	117601264
Reduced:	O2N5H21C22 (1)
Stoich.:	A2B5C21D22 (1)
Weight, g/mol:	340.167459
ΔH_f, kcal/mol:	47.27
Dipole, Da:	3.98
IP(EA), eV:	-9.1(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(4-methoxyphenyl)-2-(4-methylphenyl)oxirane-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C#N)C2=CNN(C2=O)C3=NC=C(C=C3)C(=O)N[C@@H](C)C4CC4

DOS

IR

Vibrations