Geometry & MOs

Info

ID:	364962
PubChem CID:	127316612
Reduced:	BrO2N3C18H24 (1)
Stoich.:	AB2C3D18E24 (1)
Weight, g/mol:	384.252526
ΔH_f, kcal/mol:	-57.77
Dipole, Da:	1.55
IP(EA), eV:	-8.7(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-[1-(4-cyclobutylpiperazine-1-carbonyl)cyclopentyl]urea

Drug info:

PubChemData

Smile

C1CC(C1)N2CCN(CC2)C(=O)CCNC(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations