Geometry & MOs

Info

ID:	135751
PubChem CID:	51928038
Reduced:	NO6C19H21 (1)
Stoich.:	AB6C19D21 (1)
Weight, g/mol:	243.137162
ΔH_f, kcal/mol:	-198.95
Dipole, Da:	2.77
IP(EA), eV:	-8.87(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-butan-2-yl]-3-quinolin-5-ylurea

Drug info:

PubChemData

Smile

C[C@H]1[C@H](OC2=CC=CC=C2O1)C(=O)N(C)CC3=CC(=C(O3)C)C(=O)OC

DOS

IR

Vibrations