Geometry & MOs

Info

ID:	306914
PubChem CID:	125264324
Reduced:	ON2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	307.200825
ΔH_f, kcal/mol:	-46.51
Dipole, Da:	3.31
IP(EA), eV:	-8.95(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)CNC(=O)[C@@H]2C[C@H]3[C@H](O2)CCN3C(C)C

DOS

IR

Vibrations