Geometry & MOs

Info

ID:	145426
PubChem CID:	53522940
Reduced:	BrOSN4C12H13 (1)
Stoich.:	ABCD4E12F13 (1)
Weight, g/mol:	276.147393
ΔH_f, kcal/mol:	40.45
Dipole, Da:	4.31
IP(EA), eV:	-9.57(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetylphenyl)-3-[2-(oxolan-2-yl)ethyl]urea

Drug info:

PubChemData

Smile

CC(C1=NN=C2N1CCC2)NC(=O)C3=CC=C(S3)Br

DOS

IR

Vibrations