Geometry & MOs

Info

ID:	306313
PubChem CID:	125003712
Reduced:	O2N3C27H27 (1)
Stoich.:	A2B3C27D27 (1)
Weight, g/mol:	416.196074
ΔH_f, kcal/mol:	-31.62
Dipole, Da:	4.41
IP(EA), eV:	-8.86(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-6-(imidazo[1,2-b]pyridazin-6-ylmethyl)-4-[(3-pyrimidin-2-yloxyphenyl)methyl]-1,4-oxazepane

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)[C@H]2CCCN(C2)C(=O)[C@H]3CC(=O)NC4=CC=CC=C34)C5=CC=CC=C5

DOS

IR

Vibrations