Geometry & MOs

Info

ID:	438735
PubChem CID:	135228488
Reduced:	N3C30H37 (1)
Stoich.:	A3B30C37 (1)
Weight, g/mol:	503.203191
ΔH_f, kcal/mol:	60.29
Dipole, Da:	6.64
IP(EA), eV:	-7.34(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-tert-butyl-10-methoxy-2-oxo-9-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-6,7-dihydrobenzo[a]quinolizine-3-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(C=C2CC(N3C=C(C(=C)C=C3C2=C1)C(=C)C)C(C)(C)C)C4=CN=C(C=C4)N(C)C

DOS

IR

Vibrations