Geometry & MOs

Info

ID:	146185
PubChem CID:	53648849
Reduced:	FSiO4C18H29 (1)
Stoich.:	ABC4D18E29 (1)
Weight, g/mol:	453.237604
ΔH_f, kcal/mol:	-269.68
Dipole, Da:	1.76
IP(EA), eV:	-8.78(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-amino-7-[2-[N-(3-hydroxypropyl)anilino]-2-oxoethoxy]-4H-quinazolin-3-yl]-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1O[Si](C)(C)C(C)(C)C(C)C)OC)F)C(=O)OC

DOS

IR

Vibrations