Geometry & MOs

Info

ID:	206453
PubChem CID:	80251935
Reduced:	OSN2C11H20 (1)
Stoich.:	ABC2D11E20 (1)
Weight, g/mol:	257.177964
ΔH_f, kcal/mol:	-65.93
Dipole, Da:	4.5
IP(EA), eV:	-8.68(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methylfuran-2-yl)methyl]-1-[4-(2-methylpropyl)phenyl]methanamine

Drug info:

PubChemData

Smile

CC1(CCCC1)C(=O)NCCCC(=S)N

DOS

IR

Vibrations