Geometry & MOs

Info

ID:	272892
PubChem CID:	103763857
Reduced:	O2N5C14H15 (1)
Stoich.:	A2B5C14D15 (1)
Weight, g/mol:	373.01927
ΔH_f, kcal/mol:	-9.1
Dipole, Da:	4.19
IP(EA), eV:	-9.08(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-bromo-4-chlorobenzoyl)piperidin-3-yl]methylurea

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=CN=C2)C(=O)C3=CC(=O)NC=C3

DOS

IR

Vibrations