Geometry & MOs

Info

ID:	149230
PubChem CID:	53788902
Reduced:	O2N4H14C17 (1)
Stoich.:	A2B4C14D17 (1)
Weight, g/mol:	360.120903
ΔH_f, kcal/mol:	2.77
Dipole, Da:	9.26
IP(EA), eV:	-8.81(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-acetyloxy-3-hex-3-enoxy-2-oxochromen-7-yl) acetate

Drug info:

PubChemData

Smile

C1CN2C(=NC3=C(C=CC=C32)C(=O)NC4=CN=CC=C4)CC1=O

DOS

IR

Vibrations