Geometry & MOs

Info

ID:	240607
PubChem CID:	93616713
Reduced:	N2O2C13H20 (1)
Stoich.:	A2B2C13D20 (1)
Weight, g/mol:	235.168462
ΔH_f, kcal/mol:	-91.77
Dipole, Da:	3.52
IP(EA), eV:	-8.65(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-butan-2-yl]-3-[2-(dimethylamino)phenyl]urea

Drug info:

PubChemData

Smile

CCCC1=CC=CC=C1NC(=O)N[C@H](C)CO

DOS

IR

Vibrations