Geometry & MOs

Info

ID:	348250
PubChem CID:	127273315
Reduced:	O2N3C22H33 (1)
Stoich.:	A2B3C22D33 (1)
Weight, g/mol:	379.237211
ΔH_f, kcal/mol:	-106.21
Dipole, Da:	4.99
IP(EA), eV:	-8.62(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-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

CCC1=CC=CC=C1NC(=O)CNC(=O)CN2CC3(CC2CC(C3)(C)C)C

DOS

IR

Vibrations