Geometry & MOs

Info

ID:	275089
PubChem CID:	103813712
Reduced:	OSN3C9H19 (1)
Stoich.:	ABC3D9E19 (1)
Weight, g/mol:	289.215413
ΔH_f, kcal/mol:	-56.51
Dipole, Da:	4.31
IP(EA), eV:	-8.4(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-N-[4-(azepan-1-yl)phenyl]pentanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCCN1CCSCC1)N

DOS

IR

Vibrations