Geometry & MOs

Info

ID:	216058
PubChem CID:	85085644
Reduced:	NOC6H8 (2)
Stoich.:	ABC6D8 (2)
Weight, g/mol:	220.14633
ΔH_f, kcal/mol:	-56.42
Dipole, Da:	7.11
IP(EA), eV:	-9.7(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-3-(phenylmethoxymethyl)oxirane

Drug info:

PubChemData

Smile

C1CCC(CC1)(C2C=CC(=O)N=C2)NC=O

DOS

IR

Vibrations