Geometry & MOs

Info

ID:	422254
PubChem CID:	135117514
Reduced:	N2O6C19H22 (1)
Stoich.:	A2B6C19D22 (1)
Weight, g/mol:	350.185509
ΔH_f, kcal/mol:	-177.77
Dipole, Da:	6.87
IP(EA), eV:	-9.71(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]methyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)C(=O)C3=CC(=CC(=C3)O)C(=O)OC

DOS

IR

Vibrations