Geometry & MOs

Info

ID:	305708
PubChem CID:	124966205
Reduced:	O3N5C22H31 (1)
Stoich.:	A3B5C22D31 (1)
Weight, g/mol:	413.24269
ΔH_f, kcal/mol:	-73.09
Dipole, Da:	7.7
IP(EA), eV:	-8.37(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=CC(=N1)C(=O)N2CCN([C@@H](C2)C(=O)NCCOC3=C(C=C(C=C3)C)C)C

DOS

IR

Vibrations