Geometry & MOs

Info

ID:	142471
PubChem CID:	53039723
Reduced:	ON5C18H19 (1)
Stoich.:	AB5C18D19 (1)
Weight, g/mol:	363.20591
ΔH_f, kcal/mol:	65.21
Dipole, Da:	2.48
IP(EA), eV:	-8.9(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azepan-1-yl)-3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]propan-1-one

Drug info:

PubChemData

Smile

C1CC1NC(=O)CCNC2=C(N=C3N2C=CN=C3)C4=CC=CC=C4

DOS

IR

Vibrations