Geometry & MOs

Info

ID:	438994
PubChem CID:	135228755
Reduced:	FOSN2C18H21 (1)
Stoich.:	ABCD2E18F21 (1)
Weight, g/mol:	463.247107
ΔH_f, kcal/mol:	-29.22
Dipole, Da:	2.85
IP(EA), eV:	-9.0(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-tert-butyl-10-methoxy-2-oxo-9-(2-propan-2-ylpyrazol-3-yl)-6,7-dihydrobenzo[a]quinolizine-3-carboxylate

Drug info:

PubChemData

Smile

CC=N/C=C(\C)/C1=C(C(=CC=C1)F)C(C)CC(C2=NC=CS2)O

DOS

IR

Vibrations