Geometry & MOs

Info

ID:	438889
PubChem CID:	135228649
Reduced:	N2C29H32 (1)
Stoich.:	A2B29C32 (1)
Weight, g/mol:	520.232185
ΔH_f, kcal/mol:	82.86
Dipole, Da:	5.2
IP(EA), eV:	-7.26(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-tert-butyl-10-methoxy-9-[2-[(2-methoxy-2-oxoethyl)amino]pyrimidin-5-yl]-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C2=CC3=C(C=C2C)C4=CC(=C=C)C(=CN4C(C3)C(C)(C)C)C(=C)C

DOS

IR

Vibrations