Geometry & MOs

Info

ID:	343798
PubChem CID:	127266974
Reduced:	N2O3C19H30 (1)
Stoich.:	A2B3C19D30 (1)
Weight, g/mol:	331.225977
ΔH_f, kcal/mol:	-146.54
Dipole, Da:	1.61
IP(EA), eV:	-8.59(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(oxan-2-ylmethylamino)phenyl]azepane-1-carboxamide

Drug info:

PubChemData

Smile

CCOCC1CCN(C1)CC2=CC=C(C=C2)NC(=O)OC(C)(C)C

DOS

IR

Vibrations