Geometry & MOs

Info

ID:	139445
PubChem CID:	52531950
Reduced:	ClO2N3C20H24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	373.155705
ΔH_f, kcal/mol:	-69.44
Dipole, Da:	6.73
IP(EA), eV:	-9.34(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)[C@@H]3C[C@H]4CC[C@@H]3C4

DOS

IR

Vibrations