Geometry & MOs

Info

ID:	40964
PubChem CID:	8145031
Reduced:	N2O2C7H11 (2)
Stoich.:	A2B2C7D11 (2)
Weight, g/mol:	404.105545
ΔH_f, kcal/mol:	-88.55
Dipole, Da:	8.63
IP(EA), eV:	-9.72(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

DOS

IR

Vibrations