Geometry & MOs

Info

ID:	272577
PubChem CID:	103748487
Reduced:	NC6H11 (2)
Stoich.:	AB6C11 (2)
Weight, g/mol:	288.16602
ΔH_f, kcal/mol:	31.1
Dipole, Da:	2.62
IP(EA), eV:	-8.53(1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-[4-(2-methylpropyl)phenyl]methanamine

Drug info:

PubChemData

Smile

CC(C)N1CCC(C1)NCCCC#C

DOS

IR

Vibrations