Geometry & MOs

Info

ID:	218664
PubChem CID:	85089781
Reduced:	NO6H23C30 (1)
Stoich.:	AB6C23D30 (1)
Weight, g/mol:	493.191403
ΔH_f, kcal/mol:	327.93
Dipole, Da:	12.71
IP(EA), eV:	-6.46(-2.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-cyanophenyl)methyl]-4-[(2,7-dimethyl-4-oxo-4aH-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluorobenzamide

Drug info:

PubChemData

Smile

CC1CC(C2C#CC=CC#CC3C14C2(O4)C5=CC(=C6C(=C5N3)C(=O)C7=CC=CC=C7C6=O)O)(OC)OC

DOS

IR

Vibrations