Geometry & MOs

Info

ID:	201569
PubChem CID:	79557295
Reduced:	NSO2C17H31 (1)
Stoich.:	ABC2D17E31 (1)
Weight, g/mol:	291.194677
ΔH_f, kcal/mol:	-129.89
Dipole, Da:	2.4
IP(EA), eV:	-8.56(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-amino-5-(dimethylamino)phenoxy]-1-(azepan-1-yl)ethanone

Drug info:

PubChemData

Smile

CCOC(=O)C1(CCCC1CCSCC2CCCC2)NC

DOS

IR

Vibrations