Geometry & MOs

Info

ID:	364632
PubChem CID:	127315927
Reduced:	N3O3C23H23 (1)
Stoich.:	A3B3C23D23 (1)
Weight, g/mol:	355.200825
ΔH_f, kcal/mol:	-43.26
Dipole, Da:	6.39
IP(EA), eV:	-8.73(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-4-(1,3-dimethylpyrazole-4-carbonyl)-N-methylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C21)C(=O)CN3CCN(CC3)C(=O)C4=COC5=CC=CC=C54

DOS

IR

Vibrations