Geometry & MOs

Info

ID:	412024
PubChem CID:	135084887
Reduced:	ClNOTiC19H26 (1)
Stoich.:	ABCDE19F26 (1)
Weight, g/mol:	255.162314
ΔH_f, kcal/mol:	-74.52
Dipole, Da:	7.09
IP(EA), eV:	-7.87(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-3-cyclopenta-1,3-dien-1-yl-3-methylbutanamide

Drug info:

PubChemData

Smile

[CH3-].[CH3-].CC(C)(CC(=O)NCC1=CC=CC=C1)C2=CC=C[CH-]2.Cl[Ti+3]

DOS

IR

Vibrations