Geometry & MOs

Info

ID:	159314
PubChem CID:	57269558
Reduced:	SO5N6H22C24 (1)
Stoich.:	AB5C6D22E24 (1)
Weight, g/mol:	188.152478
ΔH_f, kcal/mol:	92.1
Dipole, Da:	2.57
IP(EA), eV:	-9.45(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(dimethoxymethyl)azepan-1-amine

Drug info:

PubChemData

Smile

C1C(N(OC1=CCO)C(=O)NC2=CC3=C(C4=CC=CC3=C4S(=O)(=O)N)N=C2)C5=CC(=CC=C5)C(=N)N

DOS

IR

Vibrations