Geometry & MOs

Info

ID:	344241
PubChem CID:	127267417
Reduced:	ON3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	202.074228
ΔH_f, kcal/mol:	26.32
Dipole, Da:	6.21
IP(EA), eV:	-9.65(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,2-benzoxazol-3-ylmethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NC(=NC2=CC=CC=C12)CNC(=O)C=C

DOS

IR

Vibrations