Geometry & MOs

Info

ID:	169997
PubChem CID:	75178992
Reduced:	ON2C7H8 (4)
Stoich.:	AB2C7D8 (4)
Weight, g/mol:	374.151809
ΔH_f, kcal/mol:	-34.99
Dipole, Da:	7.12
IP(EA), eV:	-8.87(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate

Drug info:

PubChemData

Smile

C1CCOC(C1)N2C=NC3=C2N=CN=C3N(CC(=O)NC(CC4=CN=CN4)C(=O)OCC5=CC=CC=C5)C6CC6

DOS

IR

Vibrations