Geometry & MOs

Info

ID:	43056
PubChem CID:	10318241
Reduced:	N2O3C24H26 (1)
Stoich.:	A2B3C24D26 (1)
Weight, g/mol:	390.230728
ΔH_f, kcal/mol:	-76.04
Dipole, Da:	1.89
IP(EA), eV:	-8.32(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[[(1R,2R)-2-[2-(4-phenylbutyl)-1,3-benzoxazol-7-yl]cyclopropyl]methyl]propanamide

Drug info:

PubChemData

Smile

CNC1=CC=C(C=C1)C2=CC(=NC(=C2)OCCCCCC(=O)O)C3=CC=CC=C3

DOS

IR

Vibrations