Geometry & MOs

Info

ID:	286117
PubChem CID:	104152873
Reduced:	ON3C15H27 (1)
Stoich.:	AB3C15D27 (1)
Weight, g/mol:	307.208219
ΔH_f, kcal/mol:	-37.52
Dipole, Da:	2.45
IP(EA), eV:	-8.47(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-tert-butyl-6-(1,4-thiazepan-4-yl)pyridin-4-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=C1)CNC(C)C)N(C)CCOC

DOS

IR

Vibrations