Geometry & MOs

Info

ID:	438872
PubChem CID:	135228631
Reduced:	NSO4C29H35 (1)
Stoich.:	ABC4D29E35 (1)
Weight, g/mol:	378.230728
ΔH_f, kcal/mol:	-96.19
Dipole, Da:	3.55
IP(EA), eV:	-8.64(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(E)-1-aminoprop-1-en-2-yl]-6-tert-butyl-10-methoxy-3-prop-1-en-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one

Drug info:

PubChemData

Smile

CCOCC(=O)/C(=C/C)/C(=O)/C=C/1\C(=C)C(CC2=CC(=C(C=C21)OC)C3=CN=C(S3)C)C(C)(C)C

DOS

IR

Vibrations