Geometry & MOs

Info

ID:	137239
PubChem CID:	52175910
Reduced:	ON4C18H31 (1)
Stoich.:	AB4C18D31 (1)
Weight, g/mol:	318.241962
ΔH_f, kcal/mol:	-18.8
Dipole, Da:	3.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752844
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-ethylpiperazin-1-yl)butyl]-3-(4-methylphenyl)urea

Drug info:

PubChemData

Smile

CCN1CC[NH+](CC1)CCCCNC(=O)NC2=CC=C(C=C2)C

DOS

IR

Vibrations