Geometry & MOs

Info

ID:	306944
PubChem CID:	125264398
Reduced:	ON2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	333.205242
ΔH_f, kcal/mol:	-14.29
Dipole, Da:	3.77
IP(EA), eV:	-9.19(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3S,3aS,7aR)-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

CN1C=C(C=N1)CN2CC[C@H]3[C@H]2C[C@@H](O3)C(=O)NCC4CC4

DOS

IR

Vibrations