Geometry & MOs

Info

ID:	250034
PubChem CID:	103093719
Reduced:	ClNOF2C15H20 (1)
Stoich.:	ABCD2E15F20 (1)
Weight, g/mol:	293.199094
ΔH_f, kcal/mol:	-144.02
Dipole, Da:	1.73
IP(EA), eV:	-9.06(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-methyl-N-propyl-4-(3,4,5-trimethoxyphenyl)but-3-en-2-amine

Drug info:

PubChemData

Smile

CCCNC(C)/C(=C/C1=C(C=CC(=C1)Cl)OC(F)F)/C

DOS

IR

Vibrations