Geometry & MOs

Info

ID:	126955
PubChem CID:	50985292
Reduced:	O2N3C23H25 (1)
Stoich.:	A2B3C23D25 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	-10.31
Dipole, Da:	8.32
IP(EA), eV:	-8.71(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CCNC(=O)[C@H](C1)N2C=NC(=C2COCC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations