Geometry & MOs

Info

ID:	421602
PubChem CID:	135116286
Reduced:	NO6C15H17 (1)
Stoich.:	AB6C15D17 (1)
Weight, g/mol:	368.159689
ΔH_f, kcal/mol:	-202.79
Dipole, Da:	4.95
IP(EA), eV:	-8.59(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)O)CN2C[C@]3(C[C@]3(C2)C(=O)O)C(=O)O

DOS

IR

Vibrations