Geometry & MOs

Info

ID:	438751
PubChem CID:	135228504
Reduced:	N3O4C26H31 (1)
Stoich.:	A3B4C26D31 (1)
Weight, g/mol:	407.184506
ΔH_f, kcal/mol:	-111.48
Dipole, Da:	4.51
IP(EA), eV:	-9.01(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-10-methoxy-9-(5-methyl-1H-pyrazol-4-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=O)OC)C4=C(C=NN4C)C)C(C)(C)C

DOS

IR

Vibrations