Geometry & MOs

Info

ID:	439033
PubChem CID:	135228796
Reduced:	N3O3C27H37 (1)
Stoich.:	A3B3C27D37 (1)
Weight, g/mol:	435.215806
ΔH_f, kcal/mol:	-91.29
Dipole, Da:	10.79
IP(EA), eV:	-8.54(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C=C(\C(=O)/C=C\1/C2=C(CC(N1)C(C)(C)C)C=C(C(=C2)C)/C(=C/C=C)/N(C(C)C)N)/C(=O)O

DOS

IR

Vibrations