Geometry & MOs

Info

ID:	243086
PubChem CID:	99215448
Reduced:	N2O2C23H30 (1)
Stoich.:	A2B2C23D30 (1)
Weight, g/mol:	378.205576
ΔH_f, kcal/mol:	-51.57
Dipole, Da:	3.29
IP(EA), eV:	-9.19(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[5-(4-methoxyphenyl)pentanoyl]piperazin-1-yl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)CC2=CC=CC=C2)C(=O)NCCCOCC3=CC=CC=C3

DOS

IR

Vibrations