Geometry & MOs

Info

ID:	404794
PubChem CID:	135071055
Reduced:	O2C17H18 (1)
Stoich.:	A2B17C18 (1)
Weight, g/mol:	202.146999
ΔH_f, kcal/mol:	-57.08
Dipole, Da:	2.85
IP(EA), eV:	-9.57(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-3,3a,4,5-tetrahydro-1H-pyrrolo[1,2-a]quinazoline

Drug info:

PubChemData

Smile

C1C(CC(OC1C2=CC=CC=C2)O)C3=CC=CC=C3

DOS

IR

Vibrations