Geometry & MOs

Info

ID:	15507
PubChem CID:	442934
Reduced:	N2O2C11H12 (1)
Stoich.:	A2B2C11D12 (1)
Weight, g/mol:	204.089878
ΔH_f, kcal/mol:	-47.1
Dipole, Da:	1.8
IP(EA), eV:	-8.35(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-3,7-diol

Drug info:

PubChemData

Smile

C1CN2CC3=C(C=CC(=C3)O)N=C2[C@H]1O

DOS

IR

Vibrations