Geometry & MOs

Info

ID:	307851
PubChem CID:	125309923
Reduced:	NOC12H15 (1)
Stoich.:	ABC12D15 (1)
Weight, g/mol:	325.153875
ΔH_f, kcal/mol:	1.85
Dipole, Da:	2.48
IP(EA), eV:	-8.86(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-propan-2-yl-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1C(=C2C=CC=CC2=N1)CCCCO

DOS

IR

Vibrations