Geometry & MOs

Info

ID:	439057
PubChem CID:	135228820
Reduced:	FON2C19H21 (1)
Stoich.:	ABC2D19E21 (1)
Weight, g/mol:	443.330048
ΔH_f, kcal/mol:	-42.86
Dipole, Da:	5.68
IP(EA), eV:	-9.1(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(6-tert-butyl-10-ethyl-2-methylidene-3-pent-1-en-2-yl-6,7-dihydrobenzo[a]quinolizin-9-yl)-4-methyliminobut-2-en-2-amine

Drug info:

PubChemData

Smile

CC1CCC(CC1)C(=O)C[C@@H]2C3=C(C=CC=C3F)C4=CN=CN24

DOS

IR

Vibrations