Geometry & MOs

Info

ID:	438983
PubChem CID:	135228744
Reduced:	N4O5C30H34 (1)
Stoich.:	A4B5C30D34 (1)
Weight, g/mol:	479.242021
ΔH_f, kcal/mol:	-157.55
Dipole, Da:	11.73
IP(EA), eV:	-8.8(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C2=NC=C(C=C2)C3=C(C=C4C(=C3)CC(N5C4=CC(=O)C(=C5)C(=O)O)C(C)(C)C)OC

DOS

IR

Vibrations