Geometry & MOs

Info

ID:	305520
PubChem CID:	124958317
Reduced:	ON7C17H19 (1)
Stoich.:	AB7C17D19 (1)
Weight, g/mol:	349.19026
ΔH_f, kcal/mol:	74.55
Dipole, Da:	6.38
IP(EA), eV:	-8.63(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4S)-4-[(5-imidazo[1,2-a]pyrimidin-3-ylpyridin-3-yl)methyl]azepan-1-yl]ethanone

Drug info:

PubChemData

Smile

CNC1=NC(=CN2C1=CC=N2)[C@@H]3CCCN(C3)C(=O)C4=NC=CN=C4

DOS

IR

Vibrations