Geometry & MOs

Info

ID:	137348
PubChem CID:	52194313
Reduced:	O2N5C19H25 (1)
Stoich.:	A2B5C19D25 (1)
Weight, g/mol:	304.124549
ΔH_f, kcal/mol:	-33.89
Dipole, Da:	2.34
IP(EA), eV:	-8.79(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-methylphenoxy)ethyl]-3-[(5-methylthiophen-2-yl)methyl]urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations