Geometry & MOs

Info

ID:	367232
PubChem CID:	127324007
Reduced:	ON5C21H29 (1)
Stoich.:	AB5C21D29 (1)
Weight, g/mol:	372.26376
ΔH_f, kcal/mol:	-10.94
Dipole, Da:	2.3
IP(EA), eV:	-9.41(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclopropylpyrrolidin-3-yl)-3-[[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)NC3CCC(CC3)C4=CC=CC=C4

DOS

IR

Vibrations