Geometry & MOs

Info

ID:	306019
PubChem CID:	125000507
Reduced:	O2N5C16H19 (1)
Stoich.:	A2B5C16D19 (1)
Weight, g/mol:	283.179696
ΔH_f, kcal/mol:	2.31
Dipole, Da:	5.36
IP(EA), eV:	-9.62(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-[[(4S)-azepan-4-yl]methyl]pyrazin-2-yl]pyridin-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=NC=N1)C[C@@H]2CN(CCOC2)C(=O)C3=NN=CC=C3

DOS

IR

Vibrations