Geometry & MOs

Info

ID:	159940
PubChem CID:	57299206
Reduced:	N3C18H23 (1)
Stoich.:	A3B18C23 (1)
Weight, g/mol:	297.111341
ΔH_f, kcal/mol:	44.14
Dipole, Da:	2.45
IP(EA), eV:	-8.32(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(3-nitroquinolin-4-yl)pyrrol-2-yl]propan-1-ol

Drug info:

PubChemData

Smile

CC(CCCN1C=CC2=CC=CC=C21)CCC3=NC=CN3

DOS

IR

Vibrations