Geometry & MOs

Info

ID:	362248
PubChem CID:	127307261
Reduced:	N2O3C19H28 (1)
Stoich.:	A2B3C19D28 (1)
Weight, g/mol:	311.268511
ΔH_f, kcal/mol:	-117.33
Dipole, Da:	5.19
IP(EA), eV:	-8.59(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=O)N(C)CC3CCC3

DOS

IR

Vibrations