Geometry & MOs

Info

ID:	305738
PubChem CID:	124967340
Reduced:	O2N5C19H25 (1)
Stoich.:	A2B5C19D25 (1)
Weight, g/mol:	355.200825
ΔH_f, kcal/mol:	-18.44
Dipole, Da:	5.45
IP(EA), eV:	-8.98(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=O)[C@@H]1CN(CCN1CCC2=CC=CC=C2)C(=O)C3=CN(N=C3)C

DOS

IR

Vibrations