Geometry & MOs

Info

ID:	414690
PubChem CID:	135087649
Reduced:	O3N4C16H20 (1)
Stoich.:	A3B4C16D20 (1)
Weight, g/mol:	370.175339
ΔH_f, kcal/mol:	-45.56
Dipole, Da:	7.48
IP(EA), eV:	-9.21(-0.46)
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-2-[4-(tetrazol-1-yl)phenoxy]acetamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)C(=O)C3=CN=C(C=C3)N

DOS

IR

Vibrations