Geometry & MOs

Info

ID:	368285
PubChem CID:	127327869
Reduced:	OSN6C18H32 (1)
Stoich.:	ABC6D18E32 (1)
Weight, g/mol:	320.23246
ΔH_f, kcal/mol:	-14.19
Dipole, Da:	6.36
IP(EA), eV:	-8.53(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN2CCCN(CC2)C(=O)NCC3CN(CCN3C)C

DOS

IR

Vibrations