Geometry & MOs

Info

ID:	191984
PubChem CID:	78209270
Reduced:	ON5C20H21 (1)
Stoich.:	AB5C20D21 (1)
Weight, g/mol:	315.147058
ΔH_f, kcal/mol:	24.66
Dipole, Da:	5.12
IP(EA), eV:	-8.72(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-oxo-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-7-yl) N,N-dimethylcarbamate

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=NC(=N2)NC3NC(CC(=O)N3)C4=CC=CC=C4)C

DOS

IR

Vibrations