Geometry & MOs

Info

ID:	305614
PubChem CID:	124962287
Reduced:	FO2N4C22H25 (1)
Stoich.:	AB2C4D22E25 (1)
Weight, g/mol:	352.164774
ΔH_f, kcal/mol:	-59.31
Dipole, Da:	5.71
IP(EA), eV:	-9.35(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(6S)-6-(imidazo[1,2-b]pyridazin-6-ylmethyl)-1,4-oxazepan-4-yl]-(5-methylpyrazin-2-yl)methanone

Drug info:

PubChemData

Smile

CC(C)C1=CC(=NN1)C(=O)N2CCC[C@@H](C2)C3=NC=C(O3)CC4=CC=C(C=C4)F

DOS

IR

Vibrations