Geometry & MOs

Info

ID:	426370
PubChem CID:	135143662
Reduced:	N2O2C27H28 (1)
Stoich.:	A2B2C27D28 (1)
Weight, g/mol:	352.215078
ΔH_f, kcal/mol:	-28.87
Dipole, Da:	2.57
IP(EA), eV:	-9.39(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hexyl-1-methyl-3-[2-oxo-1-(4-phenylphenyl)ethyl]urea

Drug info:

PubChemData

Smile

CCCCCCN1C(=O)[C@](NC1=O)(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations