Geometry & MOs

Info

ID:	306274
PubChem CID:	125003470
Reduced:	N6C19H22 (1)
Stoich.:	A6B19C22 (1)
Weight, g/mol:	442.200491
ΔH_f, kcal/mol:	88.09
Dipole, Da:	5.31
IP(EA), eV:	-8.25(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-1-[(6S)-6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]-2,2-diphenylethanone

Drug info:

PubChemData

Smile

CC1=CN=C(N1)C2=NC=C(N=C2)C[C@@H]3CCCN(C3)C4=CC=CC=N4

DOS

IR

Vibrations