Geometry & MOs

Info

ID:	411717
PubChem CID:	135084551
Reduced:	N2O3C14H18 (1)
Stoich.:	A2B3C14D18 (1)
Weight, g/mol:	513.241627
ΔH_f, kcal/mol:	-37.32
Dipole, Da:	6.45
IP(EA), eV:	-8.88(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(5S)-3-ethyl-4-oxa-1-azatricyclo[4.4.0.03,8]decan-5-yl]quinolin-6-yl]anthracene-9-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H]2C[C@@H](CN2C1)[C@H](C3=CC=C(C=C3)[N+](=O)[O-])O

DOS

IR

Vibrations