Geometry & MOs

Info

ID:	355977
PubChem CID:	127290967
Reduced:	N4O4C19H24 (1)
Stoich.:	A4B4C19D24 (1)
Weight, g/mol:	320.23246
ΔH_f, kcal/mol:	-119.87
Dipole, Da:	7.36
IP(EA), eV:	-9.67(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-methylpyrazol-4-yl)methyl]-N-[(1-methylpyrrolidin-2-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(OC1)CNC(=O)C2=CC=CC(=C2)CNC(=O)N3CCOC(C3)C#N

DOS

IR

Vibrations