Geometry & MOs

Info

ID:	175821
PubChem CID:	75952465
Reduced:	ON2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	449.136701
ΔH_f, kcal/mol:	-48.84
Dipole, Da:	1.8
IP(EA), eV:	-8.88(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(6-chloro-1,3-benzoxazol-2-yl)-3,8-diazabicyclo[4.2.0]octan-8-yl]-[6-methyl-2-(triazol-1-yl)pyridin-3-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCC1CCCCNC(=O)C=CC2CNNC2)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations