Geometry & MOs

Info

ID:	216703
PubChem CID:	85086639
Reduced:	N4O5C12H16 (1)
Stoich.:	A4B5C12D16 (1)
Weight, g/mol:	294.146724
ΔH_f, kcal/mol:	-182.81
Dipole, Da:	5.15
IP(EA), eV:	-9.74(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-14,14-dimethyl-11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadec-3-en-5-one

Drug info:

PubChemData

Smile

C1CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)N3C=CN=C3

DOS

IR

Vibrations