Geometry & MOs

Info

ID:	156491
PubChem CID:	56370825
Reduced:	O2N3C26H35 (1)
Stoich.:	A2B3C26D35 (1)
Weight, g/mol:	422.195405
ΔH_f, kcal/mol:	-86.9
Dipole, Da:	4.22
IP(EA), eV:	-8.03(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)butanamide

Drug info:

PubChemData

Smile

CC(CCC1=CC=CC=C1)CC(=O)NC(C)CC(=O)NC2=CC(=CC=C2)N3CCCC3

DOS

IR

Vibrations