Geometry & MOs

Info

ID:	353621
PubChem CID:	127285198
Reduced:	O2N6C21H30 (1)
Stoich.:	A2B6C21D30 (1)
Weight, g/mol:	358.164105
ΔH_f, kcal/mol:	-53.24
Dipole, Da:	9.71
IP(EA), eV:	-9.11(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-acetylpiperidin-4-yl)methyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2C(=C(C(=N2)C)CC(=O)NCC3CCN(CC3)C(=O)C)C)C

DOS

IR

Vibrations