Geometry & MOs

Info

ID:	439065
PubChem CID:	135228828
Reduced:	N3O3C26H29 (1)
Stoich.:	A3B3C26D29 (1)
Weight, g/mol:	456.288912
ΔH_f, kcal/mol:	-73.4
Dipole, Da:	6.22
IP(EA), eV:	-9.25(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-tert-butyl-9-[2-(cyclopropylamino)-1,2-dihydropyrimidin-5-yl]-10-ethyl-2-methylidene-6,7-dihydrobenzo[a]quinolizin-3-yl]ethenol

Drug info:

PubChemData

Smile

CCC1=C(C=C2CC(N3C=C(C(=O)C=C3C2=C1)C(=O)OCC)C(C)(C)C)C4=CN=CN=C4

DOS

IR

Vibrations