Geometry & MOs

Info

ID:	337273
PubChem CID:	127256955
Reduced:	N2O2C19H20 (1)
Stoich.:	A2B2C19D20 (1)
Weight, g/mol:	313.142641
ΔH_f, kcal/mol:	-34.48
Dipole, Da:	3.95
IP(EA), eV:	-9.22(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-formylquinazolin-4-yl)ethyl piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC=C(C2=CC=CC=C21)C#N)OC(=O)C3CCCNC3

DOS

IR

Vibrations