Geometry & MOs

Info

ID:	422307
PubChem CID:	135117612
Reduced:	NO5C19H25 (1)
Stoich.:	AB5C19D25 (1)
Weight, g/mol:	331.132077
ΔH_f, kcal/mol:	-216.69
Dipole, Da:	5.02
IP(EA), eV:	-8.99(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-phenyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]cycloprop-2-ene-1-carboxamide

Drug info:

PubChemData

Smile

C[C@@]1(CC2(CCN(CC2)C(=O)C3=CC4=C(C=C3)OCC4)OC[C@@H]1O)O

DOS

IR

Vibrations