Geometry & MOs

Info

ID:	438937
PubChem CID:	135228698
Reduced:	NC30H37 (1)
Stoich.:	AB30C37 (1)
Weight, g/mol:	472.283826
ΔH_f, kcal/mol:	32.3
Dipole, Da:	4.55
IP(EA), eV:	-7.56(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-tert-butyl-9-[2-(cyclopropylamino)-1-methyl-2H-pyrimidin-5-yl]-10-methoxy-2-methylidene-6,7-dihydrobenzo[a]quinolizin-3-yl]ethenol

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=CC(=C(C=C2CC)C3=CC(=C)C(=CN3)C(=C)C)CCC(C)C

DOS

IR

Vibrations