Geometry & MOs

Info

ID:	224372
PubChem CID:	85342188
Reduced:	PN5O7C12H18 (1)
Stoich.:	AB5C7D12E18 (1)
Weight, g/mol:	379.141973
ΔH_f, kcal/mol:	-295.95
Dipole, Da:	7.72
IP(EA), eV:	-9.78(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-(8-oxo-2-phenyl-4a,8a-dihydro-4H-pyrano[3,2-d][1,3]dioxin-7-yl)acetamide

Drug info:

PubChemData

Smile

CCN1CN(C2=NC(=NC(=O)C21)N)C3C(C4C(O3)COP(=O)(O4)O)O

DOS

IR

Vibrations