Geometry & MOs

Info

ID:	362354
PubChem CID:	127307425
Reduced:	OSN4C13H26 (1)
Stoich.:	ABC4D13E26 (1)
Weight, g/mol:	305.221561
ΔH_f, kcal/mol:	-53.28
Dipole, Da:	3.86
IP(EA), eV:	-8.62(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1,4-dimethylpiperazin-2-yl)methyl]-1-methyl-1-(1-pyridin-3-ylethyl)urea

Drug info:

PubChemData

Smile

CC1CN(CCS1)C(=O)NCC2CN(CCN2C)C

DOS

IR

Vibrations