Geometry & MOs

Info

ID:	157714
PubChem CID:	56436649
Reduced:	ON5C28H35 (1)
Stoich.:	AB5C28D35 (1)
Weight, g/mol:	351.267448
ΔH_f, kcal/mol:	29.0
Dipole, Da:	4.36
IP(EA), eV:	-8.93(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-1-(4-tert-butylphenyl)methanamine

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)N2CCC(CC2)NCC3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

DOS

IR

Vibrations