Geometry & MOs

Info

ID:	28481
PubChem CID:	827877
Reduced:	O2N3H13C18 (1)
Stoich.:	A2B3C13D18 (1)
Weight, g/mol:	295.132077
ΔH_f, kcal/mol:	30.99
Dipole, Da:	2.37
IP(EA), eV:	-9.13(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-[(2,6-dimethylphenoxy)methyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CO4

DOS

IR

Vibrations