Geometry & MOs

Info

ID:	85206
PubChem CID:	49872331
Reduced:	O2N3C23H29 (1)
Stoich.:	A2B3C23D29 (1)
Weight, g/mol:	433.155705
ΔH_f, kcal/mol:	-70.8
Dipole, Da:	2.46
IP(EA), eV:	-9.15(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-N-[4-oxo-2-(3-tricyclo[3.3.1.03,7]nonanyl)quinazolin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)C1=NC2=CC=CC=C2C(=O)N1NC(=O)CC3C4CC5CC(C4)CC3C5

DOS

IR

Vibrations