Geometry & MOs

Info

ID:	306995
PubChem CID:	125264596
Reduced:	OSN5C17H27 (1)
Stoich.:	ABC5D17E27 (1)
Weight, g/mol:	330.205576
ΔH_f, kcal/mol:	11.09
Dipole, Da:	4.69
IP(EA), eV:	-8.89(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,3aS,7aS)-N-cyclopropyl-3-[methyl(pyridin-3-ylmethyl)amino]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)[C@@H]2C[C@@H]3CN(C[C@H]3N2C)CC4=NC=CS4

DOS

IR

Vibrations