Geometry & MOs

Info

ID:	136845
PubChem CID:	52111217
Reduced:	O2N4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	317.197751
ΔH_f, kcal/mol:	-43.57
Dipole, Da:	3.53
IP(EA), eV:	-8.28(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-N-(3-methoxypropyl)-4-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-3-ium-2,4-diamine

Drug info:

PubChemData

Smile

COCCCNC1=NC2=CC=CC=C2C(=N1)NC[C@@H]3CCCO3

DOS

IR

Vibrations