Geometry & MOs

Info

ID:	379351
PubChem CID:	134419125
Reduced:	NO3C11H19 (1)
Stoich.:	AB3C11D19 (1)
Weight, g/mol:	368.109625
ΔH_f, kcal/mol:	-162.98
Dipole, Da:	3.32
IP(EA), eV:	-9.81(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-cyano-N-[3-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1,2-oxazol-5-yl]morpholine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CC(N(C1=O)CCC(=O)C(C)C)O

DOS

IR

Vibrations