Geometry & MOs

Info

ID:	161866
PubChem CID:	57392890
Reduced:	N2O3C22H30 (1)
Stoich.:	A2B3C22D30 (1)
Weight, g/mol:	332.079707
ΔH_f, kcal/mol:	-85.63
Dipole, Da:	2.13
IP(EA), eV:	-8.43(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-nitrophenyl)prop-2-ynyl]-2-oxoquinoline-3-carbaldehyde

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCC(CN2CCN(CC2)C)(C3=CC(=CC=C3)OC)O

DOS

IR

Vibrations