Geometry & MOs

Info

ID:	417108
PubChem CID:	135091388
Reduced:	N6C17H22 (1)
Stoich.:	A6B17C22 (1)
Weight, g/mol:	317.165188
ΔH_f, kcal/mol:	91.34
Dipole, Da:	3.31
IP(EA), eV:	-8.59(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-4-methoxy-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1N(C)C)NCCCN2C3=CC=CC=C3C=N2

DOS

IR

Vibrations