Geometry & MOs

Info

ID:	420795
PubChem CID:	135114820
Reduced:	N3O4C21H25 (1)
Stoich.:	A3B4C21D25 (1)
Weight, g/mol:	318.169191
ΔH_f, kcal/mol:	-63.24
Dipole, Da:	6.56
IP(EA), eV:	-8.8(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2O)CC3=C(OC(=N3)C4=CC=CC=C4OC)C

DOS

IR

Vibrations