Geometry & MOs

Info

ID:	436685
PubChem CID:	135207505
Reduced:	N2O2C15H24 (1)
Stoich.:	A2B2C15D24 (1)
Weight, g/mol:	289.179027
ΔH_f, kcal/mol:	-85.47
Dipole, Da:	1.92
IP(EA), eV:	-8.61(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-but-3-ynyl-3-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea

Drug info:

PubChemData

Smile

CC1(OCC2=C(O1)C=CC(=C2)C[C@@H](CNC)NC)C

DOS

IR

Vibrations