Geometry & MOs

Info

ID:	154639
PubChem CID:	56314124
Reduced:	FO2N4C26H27 (1)
Stoich.:	AB2C4D26E27 (1)
Weight, g/mol:	356.221226
ΔH_f, kcal/mol:	-26.09
Dipole, Da:	3.01
IP(EA), eV:	-8.27(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)C2=NC=C(C=C2)CNC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations