Geometry & MOs

Info

ID:	76147
PubChem CID:	48424505
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	-33.72
Dipole, Da:	3.35
IP(EA), eV:	-8.86(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[2-(cyclopropylmethoxy)propanoyl]piperazin-1-yl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC2=NC(=CN2C=C1)CNC(=O)C(C)OCC3CC3

DOS

IR

Vibrations