Geometry & MOs

Info

ID:	155067
PubChem CID:	56320638
Reduced:	BrClFO2N3C18H18 (1)
Stoich.:	ABCD2E3F18G18 (1)
Weight, g/mol:	416.221226
ΔH_f, kcal/mol:	-80.53
Dipole, Da:	4.8
IP(EA), eV:	-9.08(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-phenoxyphenyl)-3-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]urea

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C2=C(C=C(C=C2)NC(=O)C3=C(N=CC(=C3)Br)Cl)F

DOS

IR

Vibrations