Geometry & MOs

Info

ID:	438943
PubChem CID:	135228704
Reduced:	NC21H27 (1)
Stoich.:	AB21C27 (1)
Weight, g/mol:	443.202048
ΔH_f, kcal/mol:	40.33
Dipole, Da:	2.11
IP(EA), eV:	-8.13(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=C/C=C\1/C2=CC=CC=C2[C@@H](N1C=C)CCC3CCCCC3

DOS

IR

Vibrations