Geometry & MOs

Info

ID:	305707
PubChem CID:	124966204
Reduced:	ON5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	413.24269
ΔH_f, kcal/mol:	17.06
Dipole, Da:	5.55
IP(EA), eV:	-9.31(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-(2,4-dimethylphenoxy)ethyl]-4-(1-ethylpyrazole-3-carbonyl)-1-methylpiperazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=CN1CC(=O)N2CCCC[C@H]2C3=CC=NN3

DOS

IR

Vibrations