Geometry & MOs

Info

ID:	309602
PubChem CID:	126550555
Reduced:	NOH15C22 (1)
Stoich.:	ABC15D22 (1)
Weight, g/mol:	498.217952
ΔH_f, kcal/mol:	65.37
Dipole, Da:	1.01
IP(EA), eV:	-8.23(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-2-[6-[[(1R)-4-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]amino]pyridin-3-yl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC2=CC3=C(C=C2)OC4=CC5=CC=CC=C5C=C43

DOS

IR

Vibrations