Geometry & MOs

Info

ID:	278086
PubChem CID:	103833259
Reduced:	NOC6H12 (2)
Stoich.:	ABC6D12 (2)
Weight, g/mol:	262.168128
ΔH_f, kcal/mol:	-123.6
Dipole, Da:	4.4
IP(EA), eV:	-9.51(1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-aminophenyl)-N-[1-(oxan-4-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NC(C)C1CCOC1)N

DOS

IR

Vibrations