Geometry & MOs

Info

ID:	438968
PubChem CID:	135228729
Reduced:	O3N4C22H26 (1)
Stoich.:	A3B4C22D26 (1)
Weight, g/mol:	366.194343
ΔH_f, kcal/mol:	-59.84
Dipole, Da:	5.57
IP(EA), eV:	-9.41(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-9-ethanimidoyl-10-methoxy-2-methylidene-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=O)OC)C(=NC=N)N)C(C)(C)C

DOS

IR

Vibrations