Geometry & MOs

Info

ID:	291552
PubChem CID:	113439192
Reduced:	N3O3C13H19 (1)
Stoich.:	A3B3C13D19 (1)
Weight, g/mol:	311.09971
ΔH_f, kcal/mol:	-101.74
Dipole, Da:	5.96
IP(EA), eV:	-10.28(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-bromo-2-(2-ethylazepan-1-yl)pyridin-3-yl]methanamine

Drug info:

PubChemData

Smile

CC(C)C[C@@H](CC(=O)O)CNC(=O)C1=CN=NC=C1

DOS

IR

Vibrations