Geometry & MOs

Info

ID:	20524
PubChem CID:	584442
Reduced:	O3N4C16H20 (1)
Stoich.:	A3B4C16D20 (1)
Weight, g/mol:	316.153541
ΔH_f, kcal/mol:	-83.92
Dipole, Da:	4.1
IP(EA), eV:	-9.0(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[N'-(1,3-benzoxazol-2-yl)-N-butanoylcarbamimidoyl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)NC(=NC1=NC2=CC=CC=C2O1)NC(=O)CCC

DOS

IR

Vibrations