Geometry & MOs

Info

ID:	362920
PubChem CID:	127309856
Reduced:	OSN6C17H30 (1)
Stoich.:	ABC6D17E30 (1)
Weight, g/mol:	310.211724
ΔH_f, kcal/mol:	-15.23
Dipole, Da:	6.45
IP(EA), eV:	-8.66(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CN2CCN(CC2)C(=O)NCC3CN(CCN3C)C

DOS

IR

Vibrations