Geometry & MOs

Info

ID:	201847
PubChem CID:	79592412
Reduced:	NSO5C14H21 (1)
Stoich.:	ABC5D14E21 (1)
Weight, g/mol:	229.042505
ΔH_f, kcal/mol:	-203.58
Dipole, Da:	2.13
IP(EA), eV:	-9.56(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-dichlorophenyl)-N-methylbut-3-en-1-amine

Drug info:

PubChemData

Smile

CC(C)OCCS(=O)(=O)NC(CC1=CC=CC=C1)C(=O)O

DOS

IR

Vibrations