Geometry & MOs

Info

ID:	139444
PubChem CID:	52531752
Reduced:	N2O2C9H12 (2)
Stoich.:	A2B2C9D12 (2)
Weight, g/mol:	373.155705
ΔH_f, kcal/mol:	-158.55
Dipole, Da:	5.56
IP(EA), eV:	-8.97(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,4S)-N-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-N-propylbicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN([C@H](C1)CNC(=O)N)C(=O)CCCN2C3=CC=CC=C3OC2=O

DOS

IR

Vibrations