Geometry & MOs

Info

ID:	361139
PubChem CID:	127302083
Reduced:	O2N4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	398.231791
ΔH_f, kcal/mol:	-35.64
Dipole, Da:	2.69
IP(EA), eV:	-8.92(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]acetamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2(CCOCC2)CNC(=O)C3=CC(=NN3)C4=CC=CC=C4

DOS

IR

Vibrations