Geometry & MOs

Info

ID:	193097
PubChem CID:	78343088
Reduced:	N3O5C22H31 (1)
Stoich.:	A3B5C22D31 (1)
Weight, g/mol:	490.24543
ΔH_f, kcal/mol:	-195.37
Dipole, Da:	7.4
IP(EA), eV:	-9.62(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[2-[4-(2,4-dioxo-4aH-quinazolin-3-yl)phenyl]acetyl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC2C(=NC(=O)N(C2=O)CCC(=O)NC3CCCCCC3)C=C1OCC

DOS

IR

Vibrations