Geometry & MOs

Info

ID:	417813
PubChem CID:	135102812
Reduced:	O3N4C16H24 (1)
Stoich.:	A3B4C16D24 (1)
Weight, g/mol:	412.204531
ΔH_f, kcal/mol:	-42.94
Dipole, Da:	3.39
IP(EA), eV:	-9.28(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-3-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-6-(1,3-thiazol-4-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)CC3=NN=C(O3)C(C)C

DOS

IR

Vibrations