Geometry & MOs

Info

ID:	366585
PubChem CID:	127320114
Reduced:	N4O5C19H24 (1)
Stoich.:	A4B5C19D24 (1)
Weight, g/mol:	323.257277
ΔH_f, kcal/mol:	-186.27
Dipole, Da:	5.88
IP(EA), eV:	-8.46(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-1-yl)-N-[3-(azepan-1-yl)-3-oxopropyl]propanamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)NC2=CC3=C(C=C2)OCCO3)C(=O)NC4CCCNC4=O

DOS

IR

Vibrations