Geometry & MOs

Info

ID:	445874
PubChem CID:	135269851
Reduced:	O3N5C21H21 (1)
Stoich.:	A3B5C21D21 (1)
Weight, g/mol:	373.197712
ΔH_f, kcal/mol:	14.21
Dipole, Da:	4.46
IP(EA), eV:	-9.31(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3,5-dimethyl-4-(4,4,4-trifluorobutyl)piperazin-1-yl]methyl]-N-hydroxybenzamide

Drug info:

PubChemData

Smile

CC1COC(=C1)C2=NN=C(O2)C3=NC(=CN=C3C)C4=CC=C(C=C4)C(=O)N(C)C

DOS

IR

Vibrations