Geometry & MOs

Info

ID:	322051
PubChem CID:	126668423
Reduced:	SO4N5C21H23 (1)
Stoich.:	AB4C5D21E23 (1)
Weight, g/mol:	213.209264
ΔH_f, kcal/mol:	-14.59
Dipole, Da:	4.98
IP(EA), eV:	-8.61(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,3-dimethylcyclopropyl)-1-methoxyheptan-1-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2C3=CC(=C(O3)C4=NNN=N4)OC)CC(C)C

DOS

IR

Vibrations