Geometry & MOs

Info

ID:	136843
PubChem CID:	52110781
Reduced:	O2N5H17C20 (1)
Stoich.:	A2B5C17D20 (1)
Weight, g/mol:	317.197751
ΔH_f, kcal/mol:	33.19
Dipole, Da:	4.6
IP(EA), eV:	-8.54(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NC(=N2)NC3=CC=C(C=C3)C(=O)N)NCC4=CC=CO4

DOS

IR

Vibrations