Geometry & MOs

Info

ID:	146985
PubChem CID:	53776920
Reduced:	N5O5C22H25 (1)
Stoich.:	A5B5C22D25 (1)
Weight, g/mol:	203.094629
ΔH_f, kcal/mol:	-97.06
Dipole, Da:	2.55
IP(EA), eV:	-7.4(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2H-quinolizin-2-yl propanoate

Drug info:

PubChemData

Smile

COCC1=C(C(=C2C(=C3C4C(N4)CN3C2=C1O)COC(=O)N)O)NCCC5=CC=CC=N5

DOS

IR

Vibrations