Geometry & MOs

Info

ID:	344357
PubChem CID:	127267533
Reduced:	O3N5C16H17 (1)
Stoich.:	A3B5C16D17 (1)
Weight, g/mol:	310.092912
ΔH_f, kcal/mol:	2.25
Dipole, Da:	1.62
IP(EA), eV:	-7.89(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-phenylcyclopropyl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=CC=C(C=C2)NC(=O)C3=CC(=C(N=C3)N)[N+](=O)[O-]

DOS

IR

Vibrations