Geometry & MOs

Info

ID:	439108
PubChem CID:	135228871
Reduced:	N2C23H32 (1)
Stoich.:	A2B23C32 (1)
Weight, g/mol:	489.243913
ΔH_f, kcal/mol:	53.19
Dipole, Da:	2.94
IP(EA), eV:	-8.24(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C=C\C=C/C(=C/C(C)CC(C)C1=CC=CC=C1N)/C(=C/N=CC)/C

DOS

IR

Vibrations