Geometry & MOs

Info

ID:	306946
PubChem CID:	125264400
Reduced:	NOC6H9 (3)
Stoich.:	ABC6D9 (3)
Weight, g/mol:	333.205242
ΔH_f, kcal/mol:	-109.61
Dipole, Da:	3.61
IP(EA), eV:	-8.4(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3S,3aR,7aS)-1-[(4-methoxyphenyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]-1,1-dimethylurea

Drug info:

PubChemData

Smile

CN(C)C(=O)N[C@H]1CN([C@H]2[C@@H]1OCCC2)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations