Geometry & MOs

Info

ID:	169930
PubChem CID:	75168695
Reduced:	N4O4H24C25 (1)
Stoich.:	A4B4C24D25 (1)
Weight, g/mol:	385.127385
ΔH_f, kcal/mol:	-3.55
Dipole, Da:	5.72
IP(EA), eV:	-9.48(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8,8-dimethyl-5-(4-nitrophenyl)-1,4a,5,7,9,10a-hexahydrochromeno[2,3-d]pyrimidine-2,4,6-trione

Drug info:

PubChemData

Smile

CC(=O)CCN1C(C(=O)N(C1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=N3)CC4=CC=CC=C4

DOS

IR

Vibrations