Geometry & MOs

Info

ID:	187554
PubChem CID:	77590951
Reduced:	ON6C24H26 (1)
Stoich.:	AB6C24D26 (1)
Weight, g/mol:	533.182982
ΔH_f, kcal/mol:	36.66
Dipole, Da:	3.29
IP(EA), eV:	-7.8(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxymethyl]piperidin-1-yl]-2-hydroxyethanone

Drug info:

PubChemData

Smile

C1CC(N(C1)C2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC5=C(C=C4)NCCC5)C(=O)N

DOS

IR

Vibrations