Geometry & MOs

Info

ID:	141458
PubChem CID:	52879456
Reduced:	O2N4C18H29 (1)
Stoich.:	A2B4C18D29 (1)
Weight, g/mol:	332.221226
ΔH_f, kcal/mol:	-48.15
Dipole, Da:	4.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.984580
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-[4-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C[NH+]=C(C(=C1OC)C)CN2CCN(CC2)CC(=O)NC3CC3

DOS

IR

Vibrations