Geometry & MOs

Info

ID:	196044
PubChem CID:	78771071
Reduced:	BrON2H15C16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	277.150036
ΔH_f, kcal/mol:	33.56
Dipole, Da:	2.03
IP(EA), eV:	-9.57(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CN(CC1=CN=CC=C1)C(=O)/C=C/C2=CC=CC=C2Br

DOS

IR

Vibrations