Geometry & MOs

Info

ID:	418527
PubChem CID:	135105529
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	391.179044
ΔH_f, kcal/mol:	-30.72
Dipole, Da:	4.09
IP(EA), eV:	-9.0(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-methyltetrazol-1-yl)-1-[(1S,5S)-7-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)C3=NC4=CC=CC=C4N3CCO

DOS

IR

Vibrations