Geometry & MOs

Info

ID:	210564
PubChem CID:	80823555
Reduced:	FO2N6C9H13 (1)
Stoich.:	AB2C6D9E13 (1)
Weight, g/mol:	288.195011
ΔH_f, kcal/mol:	-86.04
Dipole, Da:	2.07
IP(EA), eV:	-8.97(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(1-methoxybutan-2-yl)-2-N-propylquinazoline-2,4-diamine

Drug info:

PubChemData

Smile

CNC1=NC=C(C(=N1)N(CC(=O)N)CC(=O)N)F

DOS

IR

Vibrations