Geometry & MOs

Info

ID:	306943
PubChem CID:	125264397
Reduced:	ON2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	304.189926
ΔH_f, kcal/mol:	-14.28
Dipole, Da:	3.77
IP(EA), eV:	-9.19(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3aR,6aS)-N-(cyclopropylmethyl)-4-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations