Geometry & MOs

Info

ID:	286063
PubChem CID:	104150780
Reduced:	N3C13H23 (1)
Stoich.:	A3B13C23 (1)
Weight, g/mol:	275.236148
ΔH_f, kcal/mol:	-4.17
Dipole, Da:	2.56
IP(EA), eV:	-8.4(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(azepan-1-yl)-6-tert-butylpyridin-4-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CCN(CC)C1=CC(=CC(=N1)C(C)C)CN

DOS

IR

Vibrations