Geometry & MOs

Info

ID:	360495
PubChem CID:	127301140
Reduced:	SN2O3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	363.194677
ΔH_f, kcal/mol:	-104.62
Dipole, Da:	6.97
IP(EA), eV:	-9.11(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-3,5-dimethyl-N-[(2-methylquinolin-4-yl)methyl]-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=C1)CN(C3CCCC3)C(=O)C4CCS(=O)(=O)C4

DOS

IR

Vibrations