Geometry & MOs

Info

ID:	26585
PubChem CID:	653272
Reduced:	SN3O5C23H31 (1)
Stoich.:	AB3C5D23E31 (1)
Weight, g/mol:	287.152144
ΔH_f, kcal/mol:	-175.09
Dipole, Da:	8.15
IP(EA), eV:	-9.11(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)but-3-en-1-amine

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NCC1=CC=CO1)N(C2CCCC2)C(=O)CNS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations