Geometry & MOs

Info

ID:	306915
PubChem CID:	125264325
Reduced:	O2N5C15H25 (1)
Stoich.:	A2B5C15D25 (1)
Weight, g/mol:	307.200825
ΔH_f, kcal/mol:	-42.14
Dipole, Da:	5.22
IP(EA), eV:	-8.81(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

CN1C=C(C=N1)CN2C[C@H]([C@@H]3[C@@H]2CCCO3)NC(=O)N(C)C

DOS

IR

Vibrations