Geometry & MOs

Info

ID:	163927
PubChem CID:	74380855
Reduced:	N2O9C36H64 (1)
Stoich.:	A2B9C36D64 (1)
Weight, g/mol:	438.182254
ΔH_f, kcal/mol:	-418.62
Dipole, Da:	6.17
IP(EA), eV:	-8.2(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-3-[4-(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)phenyl]quinazolin-4-one;hydrochloride

Drug info:

PubChemData

Smile

CCC1C(C2C(CN(CC(=C)CO2)C(CC(C(C(C(C(C(=O)O1)C)O)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)(C)OCC=C

DOS

IR

Vibrations