Geometry & MOs

Info

ID:	307136
PubChem CID:	125270146
Reduced:	ClO2N3H16C19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	381.216475
ΔH_f, kcal/mol:	-22.18
Dipole, Da:	5.97
IP(EA), eV:	-9.31(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-6-methyl-5-pentyl-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)C3=NC(=O)N(C(=O)C3)C4=CC=CC=C4Cl

DOS

IR

Vibrations