Geometry & MOs

Info

ID:	281208
PubChem CID:	103911457
Reduced:	ClNOSC13H20 (1)
Stoich.:	ABCDE13F20 (1)
Weight, g/mol:	251.134385
ΔH_f, kcal/mol:	-35.83
Dipole, Da:	0.75
IP(EA), eV:	-8.43(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-but-3-enoxy-N-[cyclopropyl(thiophen-2-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC(CC1=CC=C(C=C1)Cl)NCC(C)S(=O)C

DOS

IR

Vibrations