Geometry & MOs

Info

ID:	438727
PubChem CID:	135228480
Reduced:	N4O5C24H30 (1)
Stoich.:	A4B5C24D30 (1)
Weight, g/mol:	361.240565
ΔH_f, kcal/mol:	-93.31
Dipole, Da:	7.72
IP(EA), eV:	-9.04(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-10-methoxy-2-methylidene-3,9-bis(prop-1-en-2-yl)-6,7-dihydrobenzo[a]quinolizine

Drug info:

PubChemData

Smile

CC(C)(C)C1CC2=CC(=C(CC2C3=CC(=O)C(=CN13)C(=O)O)OC)C4=NN=CN4CCCO

DOS

IR

Vibrations