Geometry & MOs

Info

ID:	123805
PubChem CID:	50862454
Reduced:	OSN3C26H31 (1)
Stoich.:	ABC3D26E31 (1)
Weight, g/mol:	405.278013
ΔH_f, kcal/mol:	6.52
Dipole, Da:	3.36
IP(EA), eV:	-7.85(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-N-[(E)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]propanamide

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C=C2)/C=C/3\C(=O)N=C(S3)NC4=CC=C(C=C4)C)C(CC1(C)C)C

DOS

IR

Vibrations