Geometry & MOs

Info

ID:	168966
PubChem CID:	75047401
Reduced:	ClON2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	280.02113
ΔH_f, kcal/mol:	-18.78
Dipole, Da:	5.56
IP(EA), eV:	-8.46(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-bromo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl)methanol

Drug info:

PubChemData

Smile

C1CC2=NC3=C(CN2C1CO)C=C(C=C3)Cl

DOS

IR

Vibrations