Geometry & MOs

Info

ID:	445936
PubChem CID:	135269965
Reduced:	FO2N5H22C24 (1)
Stoich.:	AB2C5D22E24 (1)
Weight, g/mol:	453.27399
ΔH_f, kcal/mol:	21.0
Dipole, Da:	5.98
IP(EA), eV:	-8.91(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3,5-dimethyl-4-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methyl]-N-hydroxypyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN1C(OC(=N1)C2=CC=CC=C2)C3=NC(=CN=C3)C4=C(C=C(C=C4)C(=O)N(C)C)/C=C/F

DOS

IR

Vibrations