Geometry & MOs

Info

ID:	285977
PubChem CID:	104143211
Reduced:	O2N3C16H25 (1)
Stoich.:	A2B3C16D25 (1)
Weight, g/mol:	262.179361
ΔH_f, kcal/mol:	-87.86
Dipole, Da:	1.51
IP(EA), eV:	-8.77(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-6-ethylpyridin-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=C1)C(=O)N2CCC(CC2)CO)NC

DOS

IR

Vibrations