Geometry & MOs

Info

ID:	305737
PubChem CID:	124967338
Reduced:	ON6C15H16 (1)
Stoich.:	AB6C15D16 (1)
Weight, g/mol:	355.200825
ΔH_f, kcal/mol:	60.08
Dipole, Da:	2.92
IP(EA), eV:	-8.84(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-methyl-4-(1-methylpyrazole-4-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=C(N1)[C@H]2CCCN2C(=O)C3=CC4=NNN=C4C=C3

DOS

IR

Vibrations