Geometry & MOs

Info

ID:	274885
PubChem CID:	103812269
Reduced:	NOC6H12 (2)
Stoich.:	ABC6D12 (2)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	-124.4
Dipole, Da:	4.15
IP(EA), eV:	-9.23(1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[1-(oxan-4-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

CC(CC(=O)NC(C)C1CCOCC1)CN

DOS

IR

Vibrations