Geometry & MOs

Info

ID:	144387
PubChem CID:	53359504
Reduced:	ON5H31C33 (1)
Stoich.:	AB5C31D33 (1)
Weight, g/mol:	329.126323
ΔH_f, kcal/mol:	129.72
Dipole, Da:	7.52
IP(EA), eV:	-8.48(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-3-benzyl-8-methoxy-4-(nitromethyl)-3,4-dihydro-2H-chromen-2-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C=C(N=C2)/C=C/CN(CC3=CC=CC=C3)C(=O)/C=C/C4=CN(C=N4)CC5=CC=CC=C5

DOS

IR

Vibrations