Geometry & MOs

Info

ID:	142161
PubChem CID:	52994305
Reduced:	NOC11H17 (3)
Stoich.:	ABC11D17 (3)
Weight, g/mol:	360.135304
ΔH_f, kcal/mol:	-168.13
Dipole, Da:	4.42
IP(EA), eV:	-8.75(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[[4-(2-hydroxyethylamino)quinazolin-2-yl]amino]phenyl]ethanol;hydrochloride

Drug info:

PubChemData

Smile

C[C@H](CCC(=O)N1CCN(CC1)C2=CC=CC=N2)[C@H]3CC[C@@H]4[C@@]3(CC[C@H]5[C@H]4[C@H](C[C@H]6[C@@]5(CC[C@H](C6)O)C)O)C

DOS

IR

Vibrations