Geometry & MOs

Info

ID:	305377
PubChem CID:	124807021
Reduced:	O2N4C15H24 (1)
Stoich.:	A2B4C15D24 (1)
Weight, g/mol:	276.158626
ΔH_f, kcal/mol:	-46.96
Dipole, Da:	3.56
IP(EA), eV:	-8.65(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3aR,7aR)-N,N-dimethyl-6-pyrimidin-4-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations