Geometry & MOs

Info

ID:	306790
PubChem CID:	125240976
Reduced:	O3N4C16H26 (1)
Stoich.:	A3B4C16D26 (1)
Weight, g/mol:	322.200491
ΔH_f, kcal/mol:	-88.28
Dipole, Da:	2.55
IP(EA), eV:	-9.0(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,5S,7aS)-N-(2-methoxyethyl)-1-[(1-methylpyrazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations