Geometry & MOs

Info

ID:	367251
PubChem CID:	127324028
Reduced:	O2N5C18H31 (1)
Stoich.:	A2B5C18D31 (1)
Weight, g/mol:	371.268511
ΔH_f, kcal/mol:	-85.8
Dipole, Da:	3.59
IP(EA), eV:	-9.53(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclopropylpyrrolidin-3-yl)-3-[2-(4-phenylpiperazin-1-yl)propyl]urea

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)NCCOC3CCCCC3C

DOS

IR

Vibrations