Geometry & MOs

Info

ID:	438996
PubChem CID:	135228757
Reduced:	N2O4C27H30 (1)
Stoich.:	A2B4C27D30 (1)
Weight, g/mol:	448.211055
ΔH_f, kcal/mol:	-120.77
Dipole, Da:	7.39
IP(EA), eV:	-8.95(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations