Geometry & MOs

Info

ID:	11801
PubChem CID:	121178
Reduced:	N5O7C28H31 (1)
Stoich.:	A5B7C28D31 (1)
Weight, g/mol:	549.222348
ΔH_f, kcal/mol:	-176.15
Dipole, Da:	3.82
IP(EA), eV:	-8.99(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-(dimethylamino)ethoxy]-2-phenylchromen-4-one;2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetic acid

Drug info:

PubChemData

Smile

CN1C2C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O.CN(C)CCOC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3

DOS

IR

Vibrations