Geometry & MOs

Info

ID:	418772
PubChem CID:	135106783
Reduced:	O2N3C23H29 (1)
Stoich.:	A2B3C23D29 (1)
Weight, g/mol:	295.14331
ΔH_f, kcal/mol:	-29.91
Dipole, Da:	3.65
IP(EA), eV:	-9.38(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

C1CC1C(=O)N2CCC(CC2)N[C@H]3COC[C@H]3CC4=CC=NC5=CC=CC=C45

DOS

IR

Vibrations