Geometry & MOs

Info

ID:	288702
PubChem CID:	104324040
Reduced:	ON4C16H26 (1)
Stoich.:	AB4C16D26 (1)
Weight, g/mol:	270.148061
ΔH_f, kcal/mol:	-49.06
Dipole, Da:	0.81
IP(EA), eV:	-8.59(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-aminoquinazolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=N1)N2CC3CCC(C3C2)O)NCC

DOS

IR

Vibrations