Geometry & MOs

Info

ID:	230430
PubChem CID:	87570880
Reduced:	SN3O8C19H25 (1)
Stoich.:	AB3C8D19E25 (1)
Weight, g/mol:	203.131014
ΔH_f, kcal/mol:	-214.18
Dipole, Da:	6.93
IP(EA), eV:	-8.83(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hex-5-ynoxyphenyl)methanamine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)O.CC1([C@]2([C@@]1([C@@H](O[C@@H]2CO)N3C=CC(=NC3=O)N)O)O)C

DOS

IR

Vibrations