Geometry & MOs

Info

ID:	347678
PubChem CID:	127272544
Reduced:	SN2O3C21H36 (1)
Stoich.:	AB2C3D21E36 (1)
Weight, g/mol:	365.221561
ΔH_f, kcal/mol:	-173.27
Dipole, Da:	9.19
IP(EA), eV:	-9.23(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Drug info:

PubChemData

Smile

CC1(CC2CC(C1)(CN2CC(=O)N(C3CCCC3)C4CCS(=O)(=O)C4)C)C

DOS

IR

Vibrations