Geometry & MOs

Info

ID:	137347
PubChem CID:	52194312
Reduced:	O2N5C19H25 (1)
Stoich.:	A2B5C19D25 (1)
Weight, g/mol:	355.200825
ΔH_f, kcal/mol:	-33.02
Dipole, Da:	3.63
IP(EA), eV:	-8.76(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-methylphenoxy)ethyl]-3-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]urea

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCCNC(=O)N[C@@H]2CCCN(C2)C3=NC=CC=N3

DOS

IR

Vibrations