Geometry & MOs

Info

ID:	191406
PubChem CID:	78143615
Reduced:	NO3H13C14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	310.131742
ΔH_f, kcal/mol:	-71.01
Dipole, Da:	1.53
IP(EA), eV:	-9.18(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-methoxy-1,3,4,4a,5,10a-hexahydrochromeno[2,3-d]pyrimidin-2-ylidene)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC12C=CC(=O)CC1N(C(=O)O2)C3=CC=CC=C3

DOS

IR

Vibrations