Geometry & MOs

Info

ID:	362306
PubChem CID:	127307328
Reduced:	ON6C14H26 (1)
Stoich.:	AB6C14D26 (1)
Weight, g/mol:	308.23246
ΔH_f, kcal/mol:	-18.22
Dipole, Da:	8.28
IP(EA), eV:	-8.78(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CN1C=CN=C1)NC(=O)NCC2CN(CCN2C)C

DOS

IR

Vibrations